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

C16H21N3 — CID 62220797

IUPAC2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine
SMILESCc1cccc(-c2nc(C3CCCC3)n(C)c2N)c1
InChIInChI=1S/C16H21N3/c1-11-6-5-9-13(10-11)14-15(17)19(2)16(18-14)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,17H2,1-2H3
InChIKeyKBIKZJQJUHQSEM-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.64
Rot. Bonds2

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

2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine (PubChem CID 62220797) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine
PubChem CID62220797
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine
SMILESCc1cccc(-c2nc(C3CCCC3)n(C)c2N)c1
InChIInChI=1S/C16H21N3/c1-11-6-5-9-13(10-11)14-15(17)19(2)16(18-14)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,17H2,1-2H3
InChIKeyKBIKZJQJUHQSEM-UHFFFAOYSA-N
XLogP3.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine?
The IUPAC name of 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine (CID 62220797) is 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine is Cc1cccc(-c2nc(C3CCCC3)n(C)c2N)c1.
What is the InChIKey of 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine?
The InChIKey is KBIKZJQJUHQSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-5-9-13(10-11)14-15(17)19(2)16(18-14)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,17H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine?
2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methyl-5-(3-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 62220797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).