1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine

C16H20ClN3 — CID 106558404

IUPAC1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc(Cl)c2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN3/c1-12-11-20(15-9-5-6-13(17)10-15)16(18-12)19-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyMJTAHRKLLKKKDW-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.58
Rot. Bonds3

About 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine

1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine (PubChem CID 106558404) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
PubChem CID106558404
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(-c2cccc(Cl)c2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H20ClN3/c1-12-11-20(15-9-5-6-13(17)10-15)16(18-12)19-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyMJTAHRKLLKKKDW-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(3-iodophenyl)-4-methylimidazol-2-amine
CID 106554243
1-(3-bromophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558666
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
1-(4-chloro-2-fluorophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106568966
N-cyclopentyl-1-(3,5-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 107581397
1-(4-bromophenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106558608
1-(5-chloro-2-methoxyphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106557711
N-cyclohexyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562135
1-(2-chloro-4-methylphenyl)-N-cyclopentyl-4-methylimidazol-2-amine
CID 106560891
N-cyclopropyl-1-(2,5-dichlorophenyl)-4-methylimidazol-2-amine
CID 106583716
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-6-methylpyrimidin-4-amine
CID 112909661
N-cyclopentyl-1-(2-iodophenyl)-4-methylimidazol-2-amine
CID 106554290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine (CID 106558404) is 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine is Cc1cn(-c2cccc(Cl)c2)c(NC2CCCCC2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
The InChIKey is MJTAHRKLLKKKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-11-20(15-9-5-6-13(17)10-15)16(18-12)19-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine?
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106558404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).