4-(benzimidazol-1-yl)thiophene-2-carboxamide

C12H9N3OS — CID 50970159

IUPAC4-(benzimidazol-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(-n2cnc3ccccc32)cs1
InChIInChI=1S/C12H9N3OS/c13-12(16)11-5-8(6-17-11)15-7-14-9-3-1-2-4-10(9)15/h1-7H,(H2,13,16)
InChIKeyCKPOXVKKOWRCOC-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.19
Rot. Bonds2

About 4-(benzimidazol-1-yl)thiophene-2-carboxamide

4-(benzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 50970159) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID50970159
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-(benzimidazol-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1cc(-n2cnc3ccccc32)cs1
InChIInChI=1S/C12H9N3OS/c13-12(16)11-5-8(6-17-11)15-7-14-9-3-1-2-4-10(9)15/h1-7H,(H2,13,16)
InChIKeyCKPOXVKKOWRCOC-UHFFFAOYSA-N
XLogP2.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide
CID 155230893
N-[(4-aminophenyl)methyl]-4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 155230921
5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
CID 95147655
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
2-(benzimidazol-1-yl)-4-bromobenzamide
CID 114907649
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
CID 155109069
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carboxamide
CID 25263074

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(benzimidazol-1-yl)thiophene-2-carboxamide (CID 50970159) is 4-(benzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(benzimidazol-1-yl)thiophene-2-carboxamide is NC(=O)c1cc(-n2cnc3ccccc32)cs1.
What is the InChIKey of 4-(benzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is CKPOXVKKOWRCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12(16)11-5-8(6-17-11)15-7-14-9-3-1-2-4-10(9)15/h1-7H,(H2,13,16).
What are the key properties of 4-(benzimidazol-1-yl)thiophene-2-carboxamide?
4-(benzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 50970159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).