2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline

C17H16FN3 — CID 79178875

IUPAC2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
SMILESCc1ncc(CNc2ccccc2F)n1-c1ccccc1
InChIInChI=1S/C17H16FN3/c1-13-19-11-15(21(13)14-7-3-2-4-8-14)12-20-17-10-6-5-9-16(17)18/h2-11,20H,12H2,1H3
InChIKeySCHZLMPPKZCZTI-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline

2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline (PubChem CID 79178875) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
PubChem CID79178875
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
SMILESCc1ncc(CNc2ccccc2F)n1-c1ccccc1
InChIInChI=1S/C17H16FN3/c1-13-19-11-15(21(13)14-7-3-2-4-8-14)12-20-17-10-6-5-9-16(17)18/h2-11,20H,12H2,1H3
InChIKeySCHZLMPPKZCZTI-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline (CID 79178875) is 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline is Cc1ncc(CNc2ccccc2F)n1-c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
The InChIKey is SCHZLMPPKZCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-13-19-11-15(21(13)14-7-3-2-4-8-14)12-20-17-10-6-5-9-16(17)18/h2-11,20H,12H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline?
2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline has a molecular weight of 281.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 79178875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).