N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide

C24H15F3N4OS — CID 44530713

IUPACN-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1)c1cccnc1
InChIInChI=1S/C24H15F3N4OS/c25-24(26,27)16-6-7-18-19(12-16)31-22(30-18)21-9-8-20(33-21)14-3-1-5-17(11-14)29-23(32)15-4-2-10-28-13-15/h1-13H,(H,29,32)(H,30,31)
InChIKeyWRUTWYSQLIMYGM-UHFFFAOYSA-N
MW464.47 g/mol
LogP6.62
Rot. Bonds4

About N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide

N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 44530713) has the molecular formula C24H15F3N4OS and a molecular weight of 464.47 g/mol. Its IUPAC name is N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID44530713
Molecular FormulaC24H15F3N4OS
Molecular Weight464.47 g/mol
Exact Mass464.09
IUPAC NameN-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1)c1cccnc1
InChIInChI=1S/C24H15F3N4OS/c25-24(26,27)16-6-7-18-19(12-16)31-22(30-18)21-9-8-20(33-21)14-3-1-5-17(11-14)29-23(32)15-4-2-10-28-13-15/h1-13H,(H,29,32)(H,30,31)
InChIKeyWRUTWYSQLIMYGM-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

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11237786
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 11489351
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 25190527
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-fluoropyridin-4-yl)thiophene-2-carboxamide
CID 25190541
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(6-fluoropyridin-3-yl)thiophene-2-carboxamide
CID 25190543
N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
6-fluoro-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348704
6-fluoro-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1H-benzimidazole-4-carboxamide
CID 137348705
2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-N-[4-[2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]pyridine-3-carboxamide
CID 121425655
Type II inhibitor, 8
CID 53348080
Bcat-IN-1
CID 118988431

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide (CID 44530713) is N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1)c1cccnc1.
What is the InChIKey of N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is WRUTWYSQLIMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4OS/c25-24(26,27)16-6-7-18-19(12-16)31-22(30-18)21-9-8-20(33-21)14-3-1-5-17(11-14)29-23(32)15-4-2-10-28-13-15/h1-13H,(H,29,32)(H,30,31).
What are the key properties of N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide?
N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-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-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44530713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).