1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine

C13H15F2N3 — CID 106559729

IUPAC1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2N3/c1-3-4-16-13-17-9(2)8-18(13)12-6-10(14)5-11(15)7-12/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyLPBBXHBFHVGHRJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.28
Rot. Bonds4

About 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine

1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106559729) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106559729
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2N3/c1-3-4-16-13-17-9(2)8-18(13)12-6-10(14)5-11(15)7-12/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyLPBBXHBFHVGHRJ-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(3-chloro-5-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 107371340
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
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine (CID 106559729) is 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is LPBBXHBFHVGHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-3-4-16-13-17-9(2)8-18(13)12-6-10(14)5-11(15)7-12/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106559729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).