1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole

C20H15ClN2 — CID 139242212

IUPAC1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole
SMILESCc1ccc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H15ClN2/c1-14-7-12-18-19(13-14)23(17-10-8-16(21)9-11-17)20(22-18)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyRJXUGPLTFZECKO-UHFFFAOYSA-N
MW318.81 g/mol
LogP5.65
Rot. Bonds2

About 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole

1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole (PubChem CID 139242212) has the molecular formula C20H15ClN2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole
PubChem CID139242212
Molecular FormulaC20H15ClN2
Molecular Weight318.81 g/mol
Exact Mass318.09
IUPAC Name1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole
SMILESCc1ccc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H15ClN2/c1-14-7-12-18-19(13-14)23(17-10-8-16(21)9-11-17)20(22-18)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyRJXUGPLTFZECKO-UHFFFAOYSA-N
XLogP5.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.81
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole (CID 139242212) is 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole is Cc1ccc2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole?
The InChIKey is RJXUGPLTFZECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2/c1-14-7-12-18-19(13-14)23(17-10-8-16(21)9-11-17)20(22-18)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole?
1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole has a molecular weight of 318.81 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-2-phenylbenzimidazole is sourced from PubChem (CID 139242212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).