N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine

C17H22ClN3 — CID 106560607

IUPACN-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C17H22ClN3/c1-12-8-9-14(18)10-16(12)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,20)
InChIKeyONZYJYJWDRDUGZ-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.40
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine (PubChem CID 106560607) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
PubChem CID106560607
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C17H22ClN3/c1-12-8-9-14(18)10-16(12)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,20)
InChIKeyONZYJYJWDRDUGZ-UHFFFAOYSA-N
XLogP5.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
1-cyclohexyl-N-(2,3-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559968
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163
1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
CID 106574142
1-cyclohexyl-N-(3-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106564039
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106560892
N-(3-chloro-5-fluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107371322
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
N-(4-bromo-2,5-difluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107608647

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine (CID 106560607) is N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
The InChIKey is ONZYJYJWDRDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-8-9-14(18)10-16(12)20-17-19-13(2)11-21(17)15-6-4-3-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine?
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine has a molecular weight of 303.84 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106560607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).