N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide

C13H11N3OS — CID 751095

IUPACN-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H11N3OS/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyHEPYZVOFXYSVGR-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.55
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide

N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 751095) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
PubChem CID751095
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccs1
InChIInChI=1S/C13H11N3OS/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyHEPYZVOFXYSVGR-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
N-[(2R)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 27161634
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42919417
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-[(2S)-1-[3-(1H-benzimidazol-2-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30360173
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
CID 154427814
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide (CID 751095) is N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1cccs1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HEPYZVOFXYSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13(11-6-3-7-18-11)14-8-12-15-9-4-1-2-5-10(9)16-12/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 751095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).