3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine

C15H21N3O — CID 55047732

IUPAC3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H21N3O/c1-4-5-10-18-11(2)17-14(15(18)16)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10,16H2,1-3H3
InChIKeyNOAJMQASNCSQMM-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.25
Rot. Bonds5

About 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine

3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine (PubChem CID 55047732) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
PubChem CID55047732
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H21N3O/c1-4-5-10-18-11(2)17-14(15(18)16)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10,16H2,1-3H3
InChIKeyNOAJMQASNCSQMM-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine (CID 55047732) is 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine is CCCCn1c(C)nc(-c2ccc(OC)cc2)c1N.
What is the InChIKey of 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine?
The InChIKey is NOAJMQASNCSQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-10-18-11(2)17-14(15(18)16)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10,16H2,1-3H3.
What are the key properties of 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine?
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 55047732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).