2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole

C21H23ClN2 — CID 5238000

IUPAC2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESClc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H23ClN2/c22-18-11-5-4-10-17(18)21-23-19-12-6-7-13-20(19)24(21)15-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyFZTSDBJTVFMSFN-UHFFFAOYSA-N
MW338.88 g/mol
LogP6.33
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole

2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 5238000) has the molecular formula C21H23ClN2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
PubChem CID5238000
Molecular FormulaC21H23ClN2
Molecular Weight338.88 g/mol
Exact Mass338.15
IUPAC Name2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESClc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1
InChIInChI=1S/C21H23ClN2/c22-18-11-5-4-10-17(18)21-23-19-12-6-7-13-20(19)24(21)15-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyFZTSDBJTVFMSFN-UHFFFAOYSA-N
XLogP6.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.88
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole (CID 5238000) is 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole is Clc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is FZTSDBJTVFMSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2/c22-18-11-5-4-10-17(18)21-23-19-12-6-7-13-20(19)24(21)15-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2.
What are the key properties of 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole?
2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 338.88 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 5238000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).