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

C19H21ClN2 — CID 4627166

IUPAC1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
SMILESCCCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2/c1-2-3-4-9-19-21-17-7-5-6-8-18(17)22(19)14-15-10-12-16(20)13-11-15/h5-8,10-13H,2-4,9,14H2,1H3
InChIKeyHUFHKIFVHVVCRY-UHFFFAOYSA-N
MW312.84 g/mol
LogP5.47
Rot. Bonds6

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

1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole (PubChem CID 4627166) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
PubChem CID4627166
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
SMILESCCCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2/c1-2-3-4-9-19-21-17-7-5-6-8-18(17)22(19)14-15-10-12-16(20)13-11-15/h5-8,10-13H,2-4,9,14H2,1H3
InChIKeyHUFHKIFVHVVCRY-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.84
LogP ≤ 55.47
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

4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-ethyl-2-pentylbenzimidazole
CID 3463966
1-Benzyl-2-heptadecyl-1H-benzimidazole,disulfo derivative,sodium salt
CID 90473584
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-benzyl-2-propylbenzimidazole
CID 764560
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole (CID 4627166) is 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole is CCCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole?
The InChIKey is HUFHKIFVHVVCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-2-3-4-9-19-21-17-7-5-6-8-18(17)22(19)14-15-10-12-16(20)13-11-15/h5-8,10-13H,2-4,9,14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole?
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole has a molecular weight of 312.84 g/mol, XLogP of 5.47, 6 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-pentylbenzimidazole is sourced from PubChem (CID 4627166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).