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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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).