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

C13H15F2N3 — CID 106556858

IUPAC1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3/c1-3-6-16-13-17-9(2)8-18(13)12-7-10(14)4-5-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)
InChIKeyONOLIZSPIHOTKH-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.28
Rot. Bonds4

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

1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine (PubChem CID 106556858) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
PubChem CID106556858
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1-c1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3/c1-3-6-16-13-17-9(2)8-18(13)12-7-10(14)4-5-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)
InChIKeyONOLIZSPIHOTKH-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

N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
CID 107628425
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
1-(4-fluoro-3-methoxyphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106583317
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine (CID 106556858) is 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1-c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
The InChIKey is ONOLIZSPIHOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-3-6-16-13-17-9(2)8-18(13)12-7-10(14)4-5-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine?
1-(2,5-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-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106556858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).