1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole

C23H27ClN2 — CID 70852724

IUPAC1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2nc(CC3CCCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C23H27ClN2/c1-16-12-21-22(13-17(16)2)26(15-19-8-10-20(24)11-9-19)23(25-21)14-18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3
InChIKeyPOLITEGQHLSZOD-UHFFFAOYSA-N
MW366.94 g/mol
LogP6.48
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole

1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole (PubChem CID 70852724) has the molecular formula C23H27ClN2 and a molecular weight of 366.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole
PubChem CID70852724
Molecular FormulaC23H27ClN2
Molecular Weight366.94 g/mol
Exact Mass366.19
IUPAC Name1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2nc(CC3CCCCC3)n(Cc3ccc(Cl)cc3)c2cc1C
InChIInChI=1S/C23H27ClN2/c1-16-12-21-22(13-17(16)2)26(15-19-8-10-20(24)11-9-19)23(25-21)14-18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3
InChIKeyPOLITEGQHLSZOD-UHFFFAOYSA-N
XLogP6.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.94
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole (CID 70852724) is 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole is Cc1cc2nc(CC3CCCCC3)n(Cc3ccc(Cl)cc3)c2cc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole?
The InChIKey is POLITEGQHLSZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2/c1-16-12-21-22(13-17(16)2)26(15-19-8-10-20(24)11-9-19)23(25-21)14-18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole?
1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole has a molecular weight of 366.94 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-(cyclohexylmethyl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 70852724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).