N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C24H15F3N4OS — CID 88946343

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C24H15F3N4OS/c25-24(26,27)16-9-4-8-15(12-16)21-28-18-11-5-10-17(20(18)30-21)22(32)31-23-29-19(13-33-23)14-6-2-1-3-7-14/h1-13H,(H,28,30)(H,29,31,32)
InChIKeyUVCPCLXYDWVOHV-UHFFFAOYSA-N
MW464.47 g/mol
LogP6.62
Rot. Bonds4

About N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 88946343) has the molecular formula C24H15F3N4OS and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID88946343
Molecular FormulaC24H15F3N4OS
Molecular Weight464.47 g/mol
Exact Mass464.09
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C24H15F3N4OS/c25-24(26,27)16-9-4-8-15(12-16)21-28-18-11-5-10-17(20(18)30-21)22(32)31-23-29-19(13-33-23)14-6-2-1-3-7-14/h1-13H,(H,28,30)(H,29,31,32)
InChIKeyUVCPCLXYDWVOHV-UHFFFAOYSA-N
XLogP6.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4260548
4-phenyl-2-[[2-[N-sulfino-3-(trifluoromethyl)anilino]benzoyl]amino]-1,3-thiazole
CID 175016701
4-phenyl-2-[[2-[N-sulfinato-3-(trifluoromethyl)anilino]benzoyl]amino]-1,3-thiazole;hydrobromide
CID 175016700
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 88946343) is N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is UVCPCLXYDWVOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4OS/c25-24(26,27)16-9-4-8-15(12-16)21-28-18-11-5-10-17(20(18)30-21)22(32)31-23-29-19(13-33-23)14-6-2-1-3-7-14/h1-13H,(H,28,30)(H,29,31,32).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 6.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 88946343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).