N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine

C16H20ClN3 — CID 106560907

IUPACN-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine
SMILESCc1ccc(Nc2nccn2C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-12-7-8-15(14(17)11-12)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)
InChIKeyKSCCHMFSKHCWGI-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.09
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine

N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine (PubChem CID 106560907) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine
PubChem CID106560907
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine
SMILESCc1ccc(Nc2nccn2C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H20ClN3/c1-12-7-8-15(14(17)11-12)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19)
InChIKeyKSCCHMFSKHCWGI-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-cyclopentylimidazol-2-amine
CID 107605190
N-(2-bromo-4-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106555665
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopentylimidazol-2-amine
CID 107795932
N-(2-chloro-6-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106576276
1-cyclohexyl-N-(2,5-difluoro-4-methylphenyl)imidazol-2-amine
CID 106583654
N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106560892
1-cyclohexyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556886
N-(4-bromophenyl)-1-cyclohexylimidazol-2-amine
CID 106558625
1-cyclopentyl-N-(2,5-difluorophenyl)imidazol-2-amine
CID 106556885
1-cyclooctyl-N-phenylimidazol-2-amine
CID 106557142
N-(1-cyclopropylimidazol-2-yl)-2,6-dimethylpyridin-3-amine
CID 106576575
1-cyclopentyl-N-(2-methoxyphenyl)imidazol-2-amine
CID 106555719

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine (CID 106560907) is N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine is Cc1ccc(Nc2nccn2C2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine?
The InChIKey is KSCCHMFSKHCWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-7-8-15(14(17)11-12)19-16-18-9-10-20(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine?
N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine has a molecular weight of 289.81 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine is sourced from PubChem (CID 106560907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).