N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide

C12H8ClN3OS — CID 34328272

IUPACN-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClN3OS/c13-11-6-5-10(18-11)12(17)15-16-7-14-8-3-1-2-4-9(8)16/h1-7H,(H,15,17)
InChIKeyXYLGYUJDUMXGKG-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.14
Rot. Bonds2

About N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide

N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide (PubChem CID 34328272) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide
PubChem CID34328272
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC NameN-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1ccc(Cl)s1
InChIInChI=1S/C12H8ClN3OS/c13-11-6-5-10(18-11)12(17)15-16-7-14-8-3-1-2-4-9(8)16/h1-7H,(H,15,17)
InChIKeyXYLGYUJDUMXGKG-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide (CID 34328272) is N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide is O=C(Nn1cnc2ccccc21)c1ccc(Cl)s1.
What is the InChIKey of N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide?
The InChIKey is XYLGYUJDUMXGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS/c13-11-6-5-10(18-11)12(17)15-16-7-14-8-3-1-2-4-9(8)16/h1-7H,(H,15,17).
What are the key properties of N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide?
N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide has a molecular weight of 277.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 34328272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).