N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine

C16H20ClN3 — CID 106576267

IUPACN-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C16H20ClN3/c1-11-6-5-9-14(17)15(11)19-16-18-12(2)10-20(16)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyAFTRIYNIGWFZDM-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.01
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine

N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106576267) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106576267
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C16H20ClN3/c1-11-6-5-9-14(17)15(11)19-16-18-12(2)10-20(16)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyAFTRIYNIGWFZDM-UHFFFAOYSA-N
XLogP5.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
CID 106574142
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
1-cyclopentyl-N-(2-ethyl-6-methylphenyl)-4-methylimidazol-2-amine
CID 106555380
N-(2-chloro-6-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106576276
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
1-cyclohexyl-N-(2,3-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559968
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106560607
1-cyclohexyl-N-(3-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106564039
N-(1-cyclopentyl-4-methylimidazol-2-yl)-2-methylpyridin-3-amine
CID 106575862
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine (CID 106576267) is N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(C2CCCC2)c(Nc2c(C)cccc2Cl)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is AFTRIYNIGWFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-11-6-5-9-14(17)15(11)19-16-18-12(2)10-20(16)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine?
N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 289.81 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106576267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).