1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine

C17H16FN3 — CID 106564030

IUPAC1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(-c2cccc(F)c2C)c(Nc2ccccc2)n1
InChIInChI=1S/C17H16FN3/c1-12-11-21(16-10-6-9-15(18)13(16)2)17(19-12)20-14-7-4-3-5-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyFHXSFJGTGQENEW-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.37
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine

1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106564030) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106564030
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(-c2cccc(F)c2C)c(Nc2ccccc2)n1
InChIInChI=1S/C17H16FN3/c1-12-11-21(16-10-6-9-15(18)13(16)2)17(19-12)20-14-7-4-3-5-8-14/h3-11H,1-2H3,(H,19,20)
InChIKeyFHXSFJGTGQENEW-UHFFFAOYSA-N
XLogP4.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine (CID 106564030) is 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine is Cc1cn(-c2cccc(F)c2C)c(Nc2ccccc2)n1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is FHXSFJGTGQENEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-11-21(16-10-6-9-15(18)13(16)2)17(19-12)20-14-7-4-3-5-8-14/h3-11H,1-2H3,(H,19,20).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine?
1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 281.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).