4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine

C16H22ClN3 — CID 104837082

IUPAC4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
SMILESCCC(C1CCCCC1)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C16H22ClN3/c1-2-13(11-7-4-3-5-8-11)20-14-10-6-9-12(17)15(14)19-16(20)18/h6,9-11,13H,2-5,7-8H2,1H3,(H2,18,19)
InChIKeySMPJXHXCAKVZSL-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.80
Rot. Bonds3

About 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine

4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine (PubChem CID 104837082) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
PubChem CID104837082
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
SMILESCCC(C1CCCCC1)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C16H22ClN3/c1-2-13(11-7-4-3-5-8-11)20-14-10-6-9-12(17)15(14)19-16(20)18/h6,9-11,13H,2-5,7-8H2,1H3,(H2,18,19)
InChIKeySMPJXHXCAKVZSL-UHFFFAOYSA-N
XLogP4.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-(1-cyclohexylpropyl)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

4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113459022
4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
3-chloro-4-(1-cyclohexylpropyl)-5-phenyl-1,2,4-triazole
CID 63385783
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361
3-chloro-4-(1-cyclohexylpropyl)-5-ethyl-1,2,4-triazole
CID 63385681
2-bromo-4-chloro-1-cyclopentylbenzimidazole
CID 84816196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine (CID 104837082) is 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine is CCC(C1CCCCC1)n1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine?
The InChIKey is SMPJXHXCAKVZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-13(11-7-4-3-5-8-11)20-14-10-6-9-12(17)15(14)19-16(20)18/h6,9-11,13H,2-5,7-8H2,1H3,(H2,18,19).
What are the key properties of 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine?
4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine has a molecular weight of 291.83 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 104837082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).