2-(2-chlorophenyl)-1-heptylbenzimidazole

C20H23ClN2 — CID 18878773

IUPAC2-(2-chlorophenyl)-1-heptylbenzimidazole
SMILESCCCCCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H23ClN2/c1-2-3-4-5-10-15-23-19-14-9-8-13-18(19)22-20(23)16-11-6-7-12-17(16)21/h6-9,11-14H,2-5,10,15H2,1H3
InChIKeyLLIWCTBDSUIBDR-UHFFFAOYSA-N
MW326.87 g/mol
LogP6.33
Rot. Bonds7

About 2-(2-chlorophenyl)-1-heptylbenzimidazole

2-(2-chlorophenyl)-1-heptylbenzimidazole (PubChem CID 18878773) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-heptylbenzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-heptylbenzimidazole
PubChem CID18878773
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name2-(2-chlorophenyl)-1-heptylbenzimidazole
SMILESCCCCCCCn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H23ClN2/c1-2-3-4-5-10-15-23-19-14-9-8-13-18(19)22-20(23)16-11-6-7-12-17(16)21/h6-9,11-14H,2-5,10,15H2,1H3
InChIKeyLLIWCTBDSUIBDR-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
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-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
2-(2-chlorophenyl)-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 17002175
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-(2-chlorophenyl)-1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 17002176
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-(2-chlorophenyl)-1-[3-(2,6-dimethylphenoxy)propyl]benzimidazole
CID 17002142
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
2-(2-chlorophenyl)-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 17002171
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-heptylbenzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-heptylbenzimidazole (CID 18878773) is 2-(2-chlorophenyl)-1-heptylbenzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-heptylbenzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-heptylbenzimidazole is CCCCCCCn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-heptylbenzimidazole?
The InChIKey is LLIWCTBDSUIBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c1-2-3-4-5-10-15-23-19-14-9-8-13-18(19)22-20(23)16-11-6-7-12-17(16)21/h6-9,11-14H,2-5,10,15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-heptylbenzimidazole?
2-(2-chlorophenyl)-1-heptylbenzimidazole has a molecular weight of 326.87 g/mol, XLogP of 6.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-heptylbenzimidazole is sourced from PubChem (CID 18878773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).