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

C23H16N4OS — CID 44530747

IUPACN-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1)c1ccncc1
InChIInChI=1S/C23H16N4OS/c28-23(15-10-12-24-13-11-15)25-17-5-3-4-16(14-17)20-8-9-21(29-20)22-26-18-6-1-2-7-19(18)27-22/h1-14H,(H,25,28)(H,26,27)
InChIKeyZKMHPMCSBCSJEN-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.61
Rot. Bonds4

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

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide (PubChem CID 44530747) has the molecular formula C23H16N4OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
PubChem CID44530747
Molecular FormulaC23H16N4OS
Molecular Weight396.48 g/mol
Exact Mass396.10
IUPAC NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1)c1ccncc1
InChIInChI=1S/C23H16N4OS/c28-23(15-10-12-24-13-11-15)25-17-5-3-4-16(14-17)20-8-9-21(29-20)22-26-18-6-1-2-7-19(18)27-22/h1-14H,(H,25,28)(H,26,27)
InChIKeyZKMHPMCSBCSJEN-UHFFFAOYSA-N
XLogP5.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide (CID 44530747) is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1)c1ccncc1.
What is the InChIKey of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is ZKMHPMCSBCSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4OS/c28-23(15-10-12-24-13-11-15)25-17-5-3-4-16(14-17)20-8-9-21(29-20)22-26-18-6-1-2-7-19(18)27-22/h1-14H,(H,25,28)(H,26,27).
What are the key properties of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide?
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 44530747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).