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

C21H13ClF4N4O2 — CID 24850586

IUPAC4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C21H13ClF4N4O2/c1-32-13-4-6-17-16(9-13)28-20(21(24,25)26)30(17)12-3-7-18(27-10-12)29-19(31)14-5-2-11(22)8-15(14)23/h2-10H,1H3,(H,27,29,31)
InChIKeySDIDBPQDAKTSHF-UHFFFAOYSA-N
MW464.81 g/mol
LogP5.49
Rot. Bonds4

About 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide

4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (PubChem CID 24850586) has the molecular formula C21H13ClF4N4O2 and a molecular weight of 464.81 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
PubChem CID24850586
Molecular FormulaC21H13ClF4N4O2
Molecular Weight464.81 g/mol
Exact Mass464.07
IUPAC Name4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C21H13ClF4N4O2/c1-32-13-4-6-17-16(9-13)28-20(21(24,25)26)30(17)12-3-7-18(27-10-12)29-19(31)14-5-2-11(22)8-15(14)23/h2-10H,1H3,(H,27,29,31)
InChIKeySDIDBPQDAKTSHF-UHFFFAOYSA-N
XLogP5.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.81
LogP ≤ 55.49
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
Benzimidazole-urea, 50
CID 10120050
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
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-{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
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 11476663
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-pyridin-2-ylacetamide
CID 1075688
1-Piperazineacetamide, 4-ethyl-N-[4-[[2-[[2-fluoro-5-(trifluoromethyl)phenyl]amino]-1-methyl-1H-benzimidazol-5-yl]oxy]-2-pyridinyl]-
CID 11387552
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
CID 11433057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide (CID 24850586) is 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc(Cl)cc2F)nc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
The InChIKey is SDIDBPQDAKTSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N4O2/c1-32-13-4-6-17-16(9-13)28-20(21(24,25)26)30(17)12-3-7-18(27-10-12)29-19(31)14-5-2-11(22)8-15(14)23/h2-10H,1H3,(H,27,29,31).
What are the key properties of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide?
4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide has a molecular weight of 464.81 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24850586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).