2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

C22H14F5N3O — CID 143549874

IUPAC2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESCc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H14F5N3O/c1-12-2-9-19-18(10-12)29-21(22(25,26)27)30(19)15-6-4-14(5-7-15)28-20(31)16-8-3-13(23)11-17(16)24/h2-11H,1H3,(H,28,31)
InChIKeyXNNPWGAAWZGMGV-UHFFFAOYSA-N
MW431.36 g/mol
LogP5.88
Rot. Bonds3

About 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (PubChem CID 143549874) has the molecular formula C22H14F5N3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
PubChem CID143549874
Molecular FormulaC22H14F5N3O
Molecular Weight431.36 g/mol
Exact Mass431.11
IUPAC Name2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESCc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C22H14F5N3O/c1-12-2-9-19-18(10-12)29-21(22(25,26)27)30(19)15-6-4-14(5-7-15)28-20(31)16-8-3-13(23)11-17(16)24/h2-11H,1H3,(H,28,31)
InChIKeyXNNPWGAAWZGMGV-UHFFFAOYSA-N
XLogP5.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 174549252
1-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-2-(trifluoromethyl)benzimidazole-5-carbonyl azide
CID 143549955
2,4-difluoro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122297586
6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
CID 164670426
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59614652
2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59004203
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
2-methyl-N-[5-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]pyridine-3-carboxamide
CID 143545663
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
CID 26173797
N-[4-(2,5-dimethoxybenzimidazol-1-yl)phenyl]-5-fluoro-4-methylpyridine-3-carboxamide
CID 70978178

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (CID 143549874) is 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The InChIKey is XNNPWGAAWZGMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F5N3O/c1-12-2-9-19-18(10-12)29-21(22(25,26)27)30(19)15-6-4-14(5-7-15)28-20(31)16-8-3-13(23)11-17(16)24/h2-11H,1H3,(H,28,31).
What are the key properties of 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide has a molecular weight of 431.36 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 143549874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).