3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine

C18H27N3 — CID 63467991

IUPAC3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(C(C)C)cc2)c1N
InChIInChI=1S/C18H27N3/c1-5-7-12-21-16(6-2)20-17(18(21)19)15-10-8-14(9-11-15)13(3)4/h8-11,13H,5-7,12,19H2,1-4H3
InChIKeyDXYSKPNDSWJUSK-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.62
Rot. Bonds6

About 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine

3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine (PubChem CID 63467991) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
PubChem CID63467991
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(C(C)C)cc2)c1N
InChIInChI=1S/C18H27N3/c1-5-7-12-21-16(6-2)20-17(18(21)19)15-10-8-14(9-11-15)13(3)4/h8-11,13H,5-7,12,19H2,1-4H3
InChIKeyDXYSKPNDSWJUSK-UHFFFAOYSA-N
XLogP4.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-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-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine (CID 63467991) is 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine is CCCCn1c(CC)nc(-c2ccc(C(C)C)cc2)c1N.
What is the InChIKey of 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
The InChIKey is DXYSKPNDSWJUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-7-12-21-16(6-2)20-17(18(21)19)15-10-8-14(9-11-15)13(3)4/h8-11,13H,5-7,12,19H2,1-4H3.
What are the key properties of 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine is sourced from PubChem (CID 63467991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).