1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine

C15H20FN3 — CID 106560922

IUPAC1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCc1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-4-8-19-11-12(2)18-15(19)17-10-13-6-5-7-14(16)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyPVIYSZLTBRSHJS-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.74
Rot. Bonds6

About 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine

1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine (PubChem CID 106560922) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
PubChem CID106560922
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NCc1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-4-8-19-11-12(2)18-15(19)17-10-13-6-5-7-14(16)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyPVIYSZLTBRSHJS-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-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

1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106560953
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560930
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106565203
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
1-[2-(3-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106562547
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine
CID 106567157
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine (CID 106560922) is 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NCc1cccc(F)c1.
What is the InChIKey of 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
The InChIKey is PVIYSZLTBRSHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-4-8-19-11-12(2)18-15(19)17-10-13-6-5-7-14(16)9-13/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,17,18).
What are the key properties of 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine?
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106560922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).