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

C18H25N3 — CID 106559772

IUPAC1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H25N3/c1-13-8-7-9-14(2)17(13)20-18-19-15(3)12-21(18)16-10-5-4-6-11-16/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,19,20)
InChIKeyYLXQICXJYZONDE-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.06
Rot. Bonds3

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

1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine (PubChem CID 106559772) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
PubChem CID106559772
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H25N3/c1-13-8-7-9-14(2)17(13)20-18-19-15(3)12-21(18)16-10-5-4-6-11-16/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,19,20)
InChIKeyYLXQICXJYZONDE-UHFFFAOYSA-N
XLogP5.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine (CID 106559772) is 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(Nc2c(C)cccc2C)n1.
What is the InChIKey of 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine?
The InChIKey is YLXQICXJYZONDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-8-7-9-14(2)17(13)20-18-19-15(3)12-21(18)16-10-5-4-6-11-16/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,19,20).
What are the key properties of 1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine?
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine has a molecular weight of 283.42 g/mol, XLogP of 5.06, 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-dimethylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106559772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).