N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide

C23H15FN4OS — CID 44530759

IUPACN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)c1ccncc1
InChIInChI=1S/C23H15FN4OS/c24-16-4-5-18-19(13-16)28-22(27-18)21-7-6-20(30-21)15-2-1-3-17(12-15)26-23(29)14-8-10-25-11-9-14/h1-13H,(H,26,29)(H,27,28)
InChIKeyUNXSEBPMTWEGFL-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.74
Rot. Bonds4

About N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide

N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 44530759) has the molecular formula C23H15FN4OS and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID44530759
Molecular FormulaC23H15FN4OS
Molecular Weight414.47 g/mol
Exact Mass414.10
IUPAC NameN-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)c1ccncc1
InChIInChI=1S/C23H15FN4OS/c24-16-4-5-18-19(13-16)28-22(27-18)21-7-6-20(30-21)15-2-1-3-17(12-15)26-23(29)14-8-10-25-11-9-14/h1-13H,(H,26,29)(H,27,28)
InChIKeyUNXSEBPMTWEGFL-UHFFFAOYSA-N
XLogP5.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide (CID 44530759) is N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)c1ccncc1.
What is the InChIKey of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is UNXSEBPMTWEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4OS/c24-16-4-5-18-19(13-16)28-22(27-18)21-7-6-20(30-21)15-2-1-3-17(12-15)26-23(29)14-8-10-25-11-9-14/h1-13H,(H,26,29)(H,27,28).
What are the key properties of N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 5.74, 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-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 44530759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).