[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine

C16H13F2N3 — CID 114702996

IUPAC[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1cncn1-c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3/c17-12-6-7-13(18)14(8-12)21-10-20-9-15(21)16(19)11-4-2-1-3-5-11/h1-10,16H,19H2
InChIKeyYFIOURHSYXZWAM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.20
Rot. Bonds3

About [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine

[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114702996) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114702996
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine
SMILESNC(c1ccccc1)c1cncn1-c1cc(F)ccc1F
InChIInChI=1S/C16H13F2N3/c17-12-6-7-13(18)14(8-12)21-10-20-9-15(21)16(19)11-4-2-1-3-5-11/h1-10,16H,19H2
InChIKeyYFIOURHSYXZWAM-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine (CID 114702996) is [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine is NC(c1ccccc1)c1cncn1-c1cc(F)ccc1F.
What is the InChIKey of [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is YFIOURHSYXZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-12-6-7-13(18)14(8-12)21-10-20-9-15(21)16(19)11-4-2-1-3-5-11/h1-10,16H,19H2.
What are the key properties of [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine?
[3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 285.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluorophenyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114702996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).