2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine

C17H23N3 — CID 62223130

IUPAC2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2nc(C3CCCCC3)n(C)c2N)cc1
InChIInChI=1S/C17H23N3/c1-12-8-10-13(11-9-12)15-16(18)20(2)17(19-15)14-6-4-3-5-7-14/h8-11,14H,3-7,18H2,1-2H3
InChIKeyPXKXRAJFAWNSBI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds2

About 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine

2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine (PubChem CID 62223130) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine
PubChem CID62223130
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2nc(C3CCCCC3)n(C)c2N)cc1
InChIInChI=1S/C17H23N3/c1-12-8-10-13(11-9-12)15-16(18)20(2)17(19-15)14-6-4-3-5-7-14/h8-11,14H,3-7,18H2,1-2H3
InChIKeyPXKXRAJFAWNSBI-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine?
The IUPAC name of 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine (CID 62223130) is 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine is Cc1ccc(-c2nc(C3CCCCC3)n(C)c2N)cc1.
What is the InChIKey of 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine?
The InChIKey is PXKXRAJFAWNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-8-10-13(11-9-12)15-16(18)20(2)17(19-15)14-6-4-3-5-7-14/h8-11,14H,3-7,18H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine?
2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methyl-5-(4-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 62223130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).