1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine

C16H25N3 — CID 79514448

IUPAC1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(CC)c1ccc(C)cc1
InChIInChI=1S/C16H25N3/c1-5-13(4)19-15(17)18-11-16(19,6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H2,17,18)
InChIKeyRVASEFPHRPXCDJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.03
Rot. Bonds4

About 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine

1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine (PubChem CID 79514448) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
PubChem CID79514448
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1(CC)c1ccc(C)cc1
InChIInChI=1S/C16H25N3/c1-5-13(4)19-15(17)18-11-16(19,6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H2,17,18)
InChIKeyRVASEFPHRPXCDJ-UHFFFAOYSA-N
XLogP3.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-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 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine (CID 79514448) is 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine is CCC(C)N1C(N)=NCC1(CC)c1ccc(C)cc1.
What is the InChIKey of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is RVASEFPHRPXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-13(4)19-15(17)18-11-16(19,6-2)14-9-7-12(3)8-10-14/h7-10,13H,5-6,11H2,1-4H3,(H2,17,18).
What are the key properties of 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine?
1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-ethyl-5-(4-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79514448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).