N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide

C23H16N4O2S2 — CID 1160447

IUPACN-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1
InChIInChI=1S/C23H16N4O2S2/c28-22(19-3-1-11-30-19)24-15-7-5-14(6-8-15)21-26-17-10-9-16(13-18(17)27-21)25-23(29)20-4-2-12-31-20/h1-13H,(H,24,28)(H,25,29)(H,26,27)
InChIKeyALZVAGBHXQHAIA-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.86
Rot. Bonds5

About N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 1160447) has the molecular formula C23H16N4O2S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID1160447
Molecular FormulaC23H16N4O2S2
Molecular Weight444.54 g/mol
Exact Mass444.07
IUPAC NameN-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1
InChIInChI=1S/C23H16N4O2S2/c28-22(19-3-1-11-30-19)24-15-7-5-14(6-8-15)21-26-17-10-9-16(13-18(17)27-21)25-23(29)20-4-2-12-31-20/h1-13H,(H,24,28)(H,25,29)(H,26,27)
InChIKeyALZVAGBHXQHAIA-UHFFFAOYSA-N
XLogP5.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide (CID 1160447) is N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1.
What is the InChIKey of N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is ALZVAGBHXQHAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S2/c28-22(19-3-1-11-30-19)24-15-7-5-14(6-8-15)21-26-17-10-9-16(13-18(17)27-21)25-23(29)20-4-2-12-31-20/h1-13H,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 5.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1160447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).