N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine

C13H15F2N3 — CID 106558157

IUPACN-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
SMILESCCCCNc1nccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-2-3-6-16-13-17-7-8-18(13)10-4-5-11(14)12(15)9-10/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)
InChIKeyJWRGHFOPLFIIBP-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.36
Rot. Bonds5

About N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine

N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine (PubChem CID 106558157) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
PubChem CID106558157
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
SMILESCCCCNc1nccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-2-3-6-16-13-17-7-8-18(13)10-4-5-11(14)12(15)9-10/h4-5,7-9H,2-3,6H2,1H3,(H,16,17)
InChIKeyJWRGHFOPLFIIBP-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-1-(3,4-difluorophenyl)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

1-(3-chloro-4-fluorophenyl)-N-propylimidazol-2-amine
CID 106554381
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
N-butyl-1-[4-(dimethylamino)phenyl]imidazol-2-amine
CID 106562661
1-(5-bromo-4-fluoro-2-methylphenyl)-N-butylimidazol-2-amine
CID 107590771
1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
CID 106557266
1-(5-bromo-2-methylphenyl)-N-butylimidazol-2-amine
CID 106562851
1-[3-bromo-4-(trifluoromethoxy)phenyl]-N-propylimidazol-2-amine
CID 107336932
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106557243
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
1-ethyl-N-octylimidazol-2-amine
CID 115568972

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine (CID 106558157) is N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine is CCCCNc1nccn1-c1ccc(F)c(F)c1.
What is the InChIKey of N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine?
The InChIKey is JWRGHFOPLFIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-2-3-6-16-13-17-7-8-18(13)10-4-5-11(14)12(15)9-10/h4-5,7-9H,2-3,6H2,1H3,(H,16,17).
What are the key properties of N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine?
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106558157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).