6-chloro-1-methyl-2-phenylbenzimidazole

C14H11ClN2 — CID 12738431

IUPAC6-chloro-1-methyl-2-phenylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2/c1-17-13-9-11(15)7-8-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyZTDTYPBTEXIESK-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.89
Rot. Bonds1

About 6-chloro-1-methyl-2-phenylbenzimidazole

6-chloro-1-methyl-2-phenylbenzimidazole (PubChem CID 12738431) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-1-methyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-methyl-2-phenylbenzimidazole
PubChem CID12738431
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name6-chloro-1-methyl-2-phenylbenzimidazole
SMILESCn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C14H11ClN2/c1-17-13-9-11(15)7-8-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyZTDTYPBTEXIESK-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
[2-(3-chlorophenyl)-3-methylbenzimidazol-5-yl]methanamine
CID 104713110
2-chloro-6-(6-chloro-1-methylbenzimidazol-2-yl)aniline
CID 107050019
7-chloro-2-(1-methylbenzimidazol-2-yl)-4-phenylquinoline
CID 100818108
6-cyclohepta-1,6-dien-1-yl-1-methyl-2-phenylbenzimidazole
CID 145498339
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
4-(6-chloro-1-methylbenzimidazol-2-yl)-2-nitroaniline
CID 115472501
6-chloro-1-[(3-chloro-2-fluorophenyl)methyl]-2-phenylbenzimidazole
CID 134083711

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-2-phenylbenzimidazole?
The IUPAC name of 6-chloro-1-methyl-2-phenylbenzimidazole (CID 12738431) is 6-chloro-1-methyl-2-phenylbenzimidazole.
What is the SMILES notation for 6-chloro-1-methyl-2-phenylbenzimidazole?
The canonical SMILES for 6-chloro-1-methyl-2-phenylbenzimidazole is Cn1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-2-phenylbenzimidazole?
The InChIKey is ZTDTYPBTEXIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-17-13-9-11(15)7-8-12(13)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-chloro-1-methyl-2-phenylbenzimidazole?
6-chloro-1-methyl-2-phenylbenzimidazole has a molecular weight of 242.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-2-phenylbenzimidazole is sourced from PubChem (CID 12738431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).