1-phenylbenzimidazole

C13H10N2 — CID 606669

IUPAC1-phenylbenzimidazole
SMILESc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChIKeyXNCMQRWVMWLODV-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.03
Rot. Bonds1

About 1-phenylbenzimidazole

1-phenylbenzimidazole (PubChem CID 606669) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-phenylbenzimidazole.

Molecular Properties

Compound Name1-phenylbenzimidazole
PubChem CID606669
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name1-phenylbenzimidazole
SMILESc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H
InChIKeyXNCMQRWVMWLODV-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzimidazole
CID 5798
Meiqx
CID 62275
3-(1H-1,3-benzodiazol-1-yl)propanoic acid
CID 748256
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(2'-Pyridyl)benzimidazole
CID 70821
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
N-(1H-Benzoimidazol-2-yl)-benzene-1,2-diamine
CID 672245
2-Amino-1-methylbenzimidazole
CID 74187
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453

Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazole?
The IUPAC name of 1-phenylbenzimidazole (CID 606669) is 1-phenylbenzimidazole.
What is the SMILES notation for 1-phenylbenzimidazole?
The canonical SMILES for 1-phenylbenzimidazole is c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-phenylbenzimidazole?
The InChIKey is XNCMQRWVMWLODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H.
What are the key properties of 1-phenylbenzimidazole?
1-phenylbenzimidazole has a molecular weight of 194.24 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazole is sourced from PubChem (CID 606669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).