Cas no 65426-89-3 (2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide)
65426-89-3 structure
Product Name:2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
CAS No:65426-89-3
MF:C22H19N5O
MW:369.419163942337
CID:1687086
PubChem ID:47626
Update Time:2025-04-21
2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
- 1H-indole-6-carboximidamide, 2-[4-[4-(aminoiminomethyl)phenoxy]phenyl]-
- SCHEMBL2847677
- 2-(4-(4-(Aminoiminomethyl)phenoxy)phenyl)-1H-indole-6-carboximidamide
- BDBM50100895
- 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboxamidine
- 5CZ
- 2-[4-(4-Carbamimidoyl-phenoxy)-phenyl]-1H-indole-6-carboxamidine
- DTXSID70215745
- Q27455650
- BRN 0450636
- 65426-89-3
- 2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-carboximidamide
- C-{2-[4-(4-Diaminomethyl-phenoxy)-phenyl]-1H-indol-6-yl}-methanediamine
- RWJ-61907
- NSC-240898
- CHEMBL598230
- 1H-INDOLE-6-CARBOXIMIDAMIDE, 2-(4-(4-(AMINOIMINOMETHYL)PHENOXY)PHENYL)-
- CHEMBL289577
-
- Inchi: 1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
- InChI Key: OSSYTOVYXCAWPG-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C(=N)N)=CC=1)C1C=CC(=CC=1)C1=CC2C=CC(C(=N)N)=CC=2N1
Computed Properties
- Exact Mass: 369.15896025g/mol
- Monoisotopic Mass: 369.15896025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 565
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 125?2
2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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