1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine

C17H18ClN3 — CID 82068115

IUPAC1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
SMILESCCCCn1c(-c2ccc(Cl)cc2)nc2c(N)cccc21
InChIInChI=1S/C17H18ClN3/c1-2-3-11-21-15-6-4-5-14(19)16(15)20-17(21)12-7-9-13(18)10-8-12/h4-10H,2-3,11,19H2,1H3
InChIKeyHJBCOOAYEZRNBO-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.74
Rot. Bonds4

About 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine

1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine (PubChem CID 82068115) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
PubChem CID82068115
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
SMILESCCCCn1c(-c2ccc(Cl)cc2)nc2c(N)cccc21
InChIInChI=1S/C17H18ClN3/c1-2-3-11-21-15-6-4-5-14(19)16(15)20-17(21)12-7-9-13(18)10-8-12/h4-10H,2-3,11,19H2,1H3
InChIKeyHJBCOOAYEZRNBO-UHFFFAOYSA-N
XLogP4.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82068123
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756
1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine
CID 164912050
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine?
The IUPAC name of 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine (CID 82068115) is 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine.
What is the SMILES notation for 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine?
The canonical SMILES for 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine is CCCCn1c(-c2ccc(Cl)cc2)nc2c(N)cccc21.
What is the InChIKey of 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine?
The InChIKey is HJBCOOAYEZRNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-2-3-11-21-15-6-4-5-14(19)16(15)20-17(21)12-7-9-13(18)10-8-12/h4-10H,2-3,11,19H2,1H3.
What are the key properties of 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine?
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine has a molecular weight of 299.81 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine is sourced from PubChem (CID 82068115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).