2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

C23H16F5N3O3 — CID 59004203

IUPAC2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESCOc1cc2c(cc1CO)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C23H16F5N3O3/c1-34-19-10-18-17(9-12(19)11-32)30-22(23(26,27)28)31(18)14-7-5-13(6-8-14)29-21(33)15-3-2-4-16(24)20(15)25/h2-10,32H,11H2,1H3,(H,29,33)
InChIKeyVWVLORMKWMVMGL-UHFFFAOYSA-N
MW477.39 g/mol
LogP5.08
Rot. Bonds5

About 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (PubChem CID 59004203) has the molecular formula C23H16F5N3O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
PubChem CID59004203
Molecular FormulaC23H16F5N3O3
Molecular Weight477.39 g/mol
Exact Mass477.11
IUPAC Name2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESCOc1cc2c(cc1CO)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C23H16F5N3O3/c1-34-19-10-18-17(9-12(19)11-32)30-22(23(26,27)28)31(18)14-7-5-13(6-8-14)29-21(33)15-3-2-4-16(24)20(15)25/h2-10,32H,11H2,1H3,(H,29,33)
InChIKeyVWVLORMKWMVMGL-UHFFFAOYSA-N
XLogP5.08
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59614652
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
N-[1-(2,3-difluorophenyl)ethenyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]aniline;ethane
CID 143549914
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 143549874
5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 174549252
N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]furan-2-carboxamide
CID 59296731
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
1-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-2-(trifluoromethyl)benzimidazole-5-carbonyl azide
CID 143549955
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2,3-difluorobenzamide
CID 59813365
3-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
CID 24850023
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (CID 59004203) is 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is COc1cc2c(cc1CO)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The InChIKey is VWVLORMKWMVMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O3/c1-34-19-10-18-17(9-12(19)11-32)30-22(23(26,27)28)31(18)14-7-5-13(6-8-14)29-21(33)15-3-2-4-16(24)20(15)25/h2-10,32H,11H2,1H3,(H,29,33).
What are the key properties of 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide has a molecular weight of 477.39 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 59004203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).