6-chloro-1-(4-propylphenyl)benzimidazol-2-amine

C16H16ClN3 — CID 115470439

IUPAC6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
SMILESCCCc1ccc(-n2c(N)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H16ClN3/c1-2-3-11-4-7-13(8-5-11)20-15-10-12(17)6-9-14(15)19-16(20)18/h4-10H,2-3H2,1H3,(H2,18,19)
InChIKeyRKBLLJHYJUSKRS-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.21
Rot. Bonds3

About 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine

6-chloro-1-(4-propylphenyl)benzimidazol-2-amine (PubChem CID 115470439) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
PubChem CID115470439
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
SMILESCCCc1ccc(-n2c(N)nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H16ClN3/c1-2-3-11-4-7-13(8-5-11)20-15-10-12(17)6-9-14(15)19-16(20)18/h4-10H,2-3H2,1H3,(H2,18,19)
InChIKeyRKBLLJHYJUSKRS-UHFFFAOYSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
1-(4-butylphenyl)-5-methylbenzimidazol-2-amine
CID 43662088
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
1-(4-chlorophenyl)-2-methyl-6-propylpyrrolo[3,2-b]pyridine
CID 122694770
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine (CID 115470439) is 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine is CCCc1ccc(-n2c(N)nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine?
The InChIKey is RKBLLJHYJUSKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-3-11-4-7-13(8-5-11)20-15-10-12(17)6-9-14(15)19-16(20)18/h4-10H,2-3H2,1H3,(H2,18,19).
What are the key properties of 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine?
6-chloro-1-(4-propylphenyl)benzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-propylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 115470439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).