Cas no 123511-07-9 (1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-)
123511-07-9 structure
Product Name:1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-
CAS No:123511-07-9
MF:C11H12N2O
MW:188.225782394409
CID:104094
PubChem ID:14598983
Update Time:2025-04-18
1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-
- 1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-(9CI)
- 1,5,6-trimethylbenzimidazole-2-carbaldehyde
- AKOS006227726
- SCHEMBL9868442
- 123511-07-9
-
- Inchi： 1S/C11H12N2O/c1-7-4-9-10(5-8(7)2)13(3)11(6-14)12-9/h4-6H,1-3H3
- InChI Key： SVEQBWBWFQRPGB-UHFFFAOYSA-N
- SMILES： O=CC1=NC2C=C(C)C(C)=CC=2N1C
Computed Properties
- Exact Mass: 188.09506
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 231
- 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: 2
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
- LogP: 2.00260
1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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