N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide

C24H16N4O2S — CID 56579886

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C24H16N4O2S/c29-23(21-10-5-13-31-21)17-6-1-2-7-18(17)24(30)27-16-11-12-22(25-14-16)28-15-26-19-8-3-4-9-20(19)28/h1-15H,(H,27,30)
InChIKeyQFIDBTAIHKOVBF-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.97
Rot. Bonds5

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide (PubChem CID 56579886) has the molecular formula C24H16N4O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide
PubChem CID56579886
Molecular FormulaC24H16N4O2S
Molecular Weight424.49 g/mol
Exact Mass424.10
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C24H16N4O2S/c29-23(21-10-5-13-31-21)17-6-1-2-7-18(17)24(30)27-16-11-12-22(25-14-16)28-15-26-19-8-3-4-9-20(19)28/h1-15H,(H,27,30)
InChIKeyQFIDBTAIHKOVBF-UHFFFAOYSA-N
XLogP4.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide (CID 56579886) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide is O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is QFIDBTAIHKOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2S/c29-23(21-10-5-13-31-21)17-6-1-2-7-18(17)24(30)27-16-11-12-22(25-14-16)28-15-26-19-8-3-4-9-20(19)28/h1-15H,(H,27,30).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 424.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 56579886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).