3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

C21H14ClF3N4O2 — CID 24849982

IUPAC3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C21H14ClF3N4O2/c1-31-15-6-7-17-16(10-15)27-20(21(23,24)25)29(17)14-5-8-18(26-11-14)28-19(30)12-3-2-4-13(22)9-12/h2-11H,1H3,(H,26,28,30)
InChIKeyBDAOKHIDEPUTIM-UHFFFAOYSA-N
MW446.82 g/mol
LogP5.35
Rot. Bonds4

About 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 24849982) has the molecular formula C21H14ClF3N4O2 and a molecular weight of 446.82 g/mol. Its IUPAC name is 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
PubChem CID24849982
Molecular FormulaC21H14ClF3N4O2
Molecular Weight446.82 g/mol
Exact Mass446.08
IUPAC Name3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C21H14ClF3N4O2/c1-31-15-6-7-17-16(10-15)27-20(21(23,24)25)29(17)14-5-8-18(26-11-14)28-19(30)12-3-2-4-13(22)9-12/h2-11H,1H3,(H,26,28,30)
InChIKeyBDAOKHIDEPUTIM-UHFFFAOYSA-N
XLogP5.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.82
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cambritaxestat
CID 122199235
4-((2-((4-chloro-3-(trifluoromethyl)phenyl)amino)-3H-benzimidazol-5-yl)oxy)-N-methyl-pyridine-2-carboxamide
CID 11167118
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1-methyl-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11156649
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 17755116
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040857
4-({2-[(cyclohexylmethyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040925
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937
1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole
CID 22040941
N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041119
N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
4-[(2-{[4-chloro-3-(trifluoromethyl)phenyl](methyl)amino}-1H-1,3-benzodiazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 22041261

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (CID 24849982) is 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(Cl)c2)nc1.
What is the InChIKey of 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is BDAOKHIDEPUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O2/c1-31-15-6-7-17-16(10-15)27-20(21(23,24)25)29(17)14-5-8-18(26-11-14)28-19(30)12-3-2-4-13(22)9-12/h2-11H,1H3,(H,26,28,30).
What are the key properties of 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 446.82 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24849982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).