Cas no 53897-96-4 (1H-Benzimidazol-5-amine, 1-(4-methylphenyl)-)
53897-96-4 structure
Product Name:1H-Benzimidazol-5-amine, 1-(4-methylphenyl)-
CAS No:53897-96-4
MF:C14H13N3
MW:223.273122549057
CID:356103
PubChem ID:13526234
Update Time:2025-04-19
1H-Benzimidazol-5-amine, 1-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazol-5-amine, 1-(4-methylphenyl)-
- 1-(4-methylphenyl)benzimidazol-5-amine
- DTXSID30542948
- 53897-96-4
- AKOS011797283
- 1-(4-Methylphenyl)-1H-benzimidazol-5-amine
- AE-641/30107004
- 1-(p-Tolyl)-1H-benzo[d]imidazol-5-amine
-
- Inchi: 1S/C14H13N3/c1-10-2-5-12(6-3-10)17-9-16-13-8-11(15)4-7-14(13)17/h2-9H,15H2,1H3
- InChI Key: DAQJGJHOLQNINM-UHFFFAOYSA-N
- SMILES: N1(C=NC2C=C(C=CC1=2)N)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 223.11109
- Monoisotopic Mass: 223.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 260
- 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: 2.8
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.84
1H-Benzimidazol-5-amine, 1-(4-methylphenyl)- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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