4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

C24H20FN3O2 — CID 42691446

IUPAC4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)[nH]2)cc1
InChIInChI=1S/C24H20FN3O2/c1-30-21-12-8-17(9-13-21)22-15-26-23(28-22)18-4-2-16(3-5-18)14-27-24(29)19-6-10-20(25)11-7-19/h2-13,15H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyXRVAZQGMVFEUIL-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.82
Rot. Bonds6

About 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide

4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (PubChem CID 42691446) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
PubChem CID42691446
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)[nH]2)cc1
InChIInChI=1S/C24H20FN3O2/c1-30-21-12-8-17(9-13-21)22-15-26-23(28-22)18-4-2-16(3-5-18)14-27-24(29)19-6-10-20(25)11-7-19/h2-13,15H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyXRVAZQGMVFEUIL-UHFFFAOYSA-N
XLogP4.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide (CID 42691446) is 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)c4ccc(F)cc4)cc3)[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is XRVAZQGMVFEUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-30-21-12-8-17(9-13-21)22-15-26-23(28-22)18-4-2-16(3-5-18)14-27-24(29)19-6-10-20(25)11-7-19/h2-13,15H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide?
4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 42691446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).