[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine

C17H16FN3 — CID 114704029

IUPAC[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine
SMILESCc1ccc(F)c(-n2cncc2C(N)c2ccccc2)c1
InChIInChI=1S/C17H16FN3/c1-12-7-8-14(18)15(9-12)21-11-20-10-16(21)17(19)13-5-3-2-4-6-13/h2-11,17H,19H2,1H3
InChIKeyZESPMWOMOCPHQD-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.37
Rot. Bonds3

About [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine

[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114704029) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114704029
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine
SMILESCc1ccc(F)c(-n2cncc2C(N)c2ccccc2)c1
InChIInChI=1S/C17H16FN3/c1-12-7-8-14(18)15(9-12)21-11-20-10-16(21)17(19)13-5-3-2-4-6-13/h2-11,17H,19H2,1H3
InChIKeyZESPMWOMOCPHQD-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine (CID 114704029) is [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine is Cc1ccc(F)c(-n2cncc2C(N)c2ccccc2)c1.
What is the InChIKey of [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is ZESPMWOMOCPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12-7-8-14(18)15(9-12)21-11-20-10-16(21)17(19)13-5-3-2-4-6-13/h2-11,17H,19H2,1H3.
What are the key properties of [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine?
[3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 281.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-5-methylphenyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114704029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).