2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole

C20H23ClN2 — CID 18878400

IUPAC2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
SMILESCCCCCCn1c(Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H23ClN2/c1-2-3-4-7-14-23-19-9-6-5-8-18(19)22-20(23)15-16-10-12-17(21)13-11-16/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKeyMVXUBCPSXIKIKU-UHFFFAOYSA-N
MW326.87 g/mol
LogP5.86
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole

2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole (PubChem CID 18878400) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
PubChem CID18878400
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
SMILESCCCCCCn1c(Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C20H23ClN2/c1-2-3-4-7-14-23-19-9-6-5-8-18(19)22-20(23)15-16-10-12-17(21)13-11-16/h5-6,8-13H,2-4,7,14-15H2,1H3
InChIKeyMVXUBCPSXIKIKU-UHFFFAOYSA-N
XLogP5.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.87
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-hexadecylbenzimidazole
CID 4627397
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole (CID 18878400) is 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole is CCCCCCn1c(Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole?
The InChIKey is MVXUBCPSXIKIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c1-2-3-4-7-14-23-19-9-6-5-8-18(19)22-20(23)15-16-10-12-17(21)13-11-16/h5-6,8-13H,2-4,7,14-15H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole?
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole has a molecular weight of 326.87 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole is sourced from PubChem (CID 18878400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).