N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine

C15H19F2N3 — CID 106583625

IUPACN-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1cc(F)c(C)cc1F
InChIInChI=1S/C15H19F2N3/c1-4-5-6-18-15-19-11(3)9-20(15)14-8-12(16)10(2)7-13(14)17/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyBUGUMZGXESIAMP-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.98
Rot. Bonds5

About N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine

N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine (PubChem CID 106583625) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
PubChem CID106583625
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1cc(F)c(C)cc1F
InChIInChI=1S/C15H19F2N3/c1-4-5-6-18-15-19-11(3)9-20(15)14-8-12(16)10(2)7-13(14)17/h7-9H,4-6H2,1-3H3,(H,18,19)
InChIKeyBUGUMZGXESIAMP-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(5-bromo-2,4-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106583039
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106583054
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine (CID 106583625) is N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1-c1cc(F)c(C)cc1F.
What is the InChIKey of N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine?
The InChIKey is BUGUMZGXESIAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-5-6-18-15-19-11(3)9-20(15)14-8-12(16)10(2)7-13(14)17/h7-9H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine?
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106583625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).