1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine

C16H20ClN3 — CID 106560891

IUPAC1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1ccc(-n2cc(C)nc2NC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-11-7-8-15(14(17)9-11)20-10-12(2)18-16(20)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyTXVDXKFTQNUHKY-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.50
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine

1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106560891) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106560891
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1ccc(-n2cc(C)nc2NC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-11-7-8-15(14(17)9-11)20-10-12(2)18-16(20)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19)
InChIKeyTXVDXKFTQNUHKY-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-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-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106560885
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine (CID 106560891) is 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine is Cc1ccc(-n2cc(C)nc2NC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is TXVDXKFTQNUHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-11-7-8-15(14(17)9-11)20-10-12(2)18-16(20)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine?
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106560891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).