1-butyl-N-(3-methylphenyl)imidazol-2-amine

C14H19N3 — CID 106560213

IUPAC1-butyl-N-(3-methylphenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-4-9-17-10-8-15-14(17)16-13-7-5-6-12(2)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyZXUAEBLIOZMAJM-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.74
Rot. Bonds5

About 1-butyl-N-(3-methylphenyl)imidazol-2-amine

1-butyl-N-(3-methylphenyl)imidazol-2-amine (PubChem CID 106560213) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-butyl-N-(3-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(3-methylphenyl)imidazol-2-amine
PubChem CID106560213
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-butyl-N-(3-methylphenyl)imidazol-2-amine
SMILESCCCCn1ccnc1Nc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-4-9-17-10-8-15-14(17)16-13-7-5-6-12(2)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyZXUAEBLIOZMAJM-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-(3-methylphenyl)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

Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
1-octyl-N-phenylimidazol-2-amine
CID 106578848
1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
CID 106569430
N-(3,5-dimethylphenyl)-1-propylimidazol-2-amine
CID 106559204
1-butyl-N-(3-chloro-4-fluorophenyl)imidazol-2-amine
CID 106554378
1-butyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557363
N-(3,4-dichlorophenyl)-1-propylimidazol-2-amine
CID 106557576
1-butyl-N-(2-propylphenyl)imidazol-2-amine
CID 106567389
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-methylphenyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(3-methylphenyl)imidazol-2-amine (CID 106560213) is 1-butyl-N-(3-methylphenyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(3-methylphenyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(3-methylphenyl)imidazol-2-amine is CCCCn1ccnc1Nc1cccc(C)c1.
What is the InChIKey of 1-butyl-N-(3-methylphenyl)imidazol-2-amine?
The InChIKey is ZXUAEBLIOZMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-9-17-10-8-15-14(17)16-13-7-5-6-12(2)11-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 1-butyl-N-(3-methylphenyl)imidazol-2-amine?
1-butyl-N-(3-methylphenyl)imidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 106560213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).