2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

C22H14F5N3O2 — CID 59614652

IUPAC2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccc(CO)cc32)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H14F5N3O2/c23-16-3-1-2-15(19(16)24)20(32)28-13-5-7-14(8-6-13)30-18-10-12(11-31)4-9-17(18)29-21(30)22(25,26)27/h1-10,31H,11H2,(H,28,32)
InChIKeyGGXCWXXNYYLDMC-UHFFFAOYSA-N
MW447.36 g/mol
LogP5.07
Rot. Bonds4

About 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (PubChem CID 59614652) has the molecular formula C22H14F5N3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
PubChem CID59614652
Molecular FormulaC22H14F5N3O2
Molecular Weight447.36 g/mol
Exact Mass447.10
IUPAC Name2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccc(CO)cc32)cc1)c1cccc(F)c1F
InChIInChI=1S/C22H14F5N3O2/c23-16-3-1-2-15(19(16)24)20(32)28-13-5-7-14(8-6-13)30-18-10-12(11-31)4-9-17(18)29-21(30)22(25,26)27/h1-10,31H,11H2,(H,28,32)
InChIKeyGGXCWXXNYYLDMC-UHFFFAOYSA-N
XLogP5.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59004203
5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 174549252
N-[1-(2,3-difluorophenyl)ethenyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]aniline;ethane
CID 143549914
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 143549874
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
N-[4-(2-bromoethyl)phenyl]-2,3-difluorobenzamide
CID 114310286
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
N-(2-amino-3-propan-2-ylbenzimidazol-5-yl)-2,3-difluorobenzamide
CID 100940866
1-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-2-(trifluoromethyl)benzimidazole-5-carbonyl azide
CID 143549955

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (CID 59614652) is 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is O=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccc(CO)cc32)cc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The InChIKey is GGXCWXXNYYLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O2/c23-16-3-1-2-15(19(16)24)20(32)28-13-5-7-14(8-6-13)30-18-10-12(11-31)4-9-17(18)29-21(30)22(25,26)27/h1-10,31H,11H2,(H,28,32).
What are the key properties of 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide has a molecular weight of 447.36 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 59614652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).