1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine

C16H19Cl2N3 — CID 106574142

IUPAC1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-11-10-21(12-6-3-2-4-7-12)16(19-11)20-15-13(17)8-5-9-14(15)18/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyLSWPRFGAIHAOHT-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.75
Rot. Bonds3

About 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine

1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine (PubChem CID 106574142) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
PubChem CID106574142
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-11-10-21(12-6-3-2-4-7-12)16(19-11)20-15-13(17)8-5-9-14(15)18/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyLSWPRFGAIHAOHT-UHFFFAOYSA-N
XLogP5.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106576267
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
1-cyclopentyl-N-(2-ethyl-6-methylphenyl)-4-methylimidazol-2-amine
CID 106555380
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-(2-chloro-6-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106576276
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
N-(1-cyclopentyl-4-methylimidazol-2-yl)-2-methylpyridin-3-amine
CID 106575862
1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine (CID 106574142) is 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine?
The InChIKey is LSWPRFGAIHAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-11-10-21(12-6-3-2-4-7-12)16(19-11)20-15-13(17)8-5-9-14(15)18/h5,8-10,12H,2-4,6-7H2,1H3,(H,19,20).
What are the key properties of 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine?
1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine has a molecular weight of 324.25 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106574142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).