4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide

C18H16FN3O2 — CID 1096853

IUPAC4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1
InChIInChI=1S/C18H16FN3O2/c1-22-16(12-5-9-15(24-2)10-6-12)11-20-18(22)21-17(23)13-3-7-14(19)8-4-13/h3-11H,1-2H3,(H,20,21,23)
InChIKeyAVBIBHHCLCVAMN-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.49
Rot. Bonds4

About 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide

4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide (PubChem CID 1096853) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
PubChem CID1096853
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1
InChIInChI=1S/C18H16FN3O2/c1-22-16(12-5-9-15(24-2)10-6-12)11-20-18(22)21-17(23)13-3-7-14(19)8-4-13/h3-11H,1-2H3,(H,20,21,23)
InChIKeyAVBIBHHCLCVAMN-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide (CID 1096853) is 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide is COc1ccc(-c2cnc(NC(=O)c3ccc(F)cc3)n2C)cc1.
What is the InChIKey of 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
The InChIKey is AVBIBHHCLCVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-22-16(12-5-9-15(24-2)10-6-12)11-20-18(22)21-17(23)13-3-7-14(19)8-4-13/h3-11H,1-2H3,(H,20,21,23).
What are the key properties of 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide is sourced from PubChem (CID 1096853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).