2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide

C19H13N3O2S — CID 11416734

IUPAC2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)c4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H13N3O2S/c20-18(24)13-7-8-14-15(10-13)22-19(21-14)12-5-3-11(4-6-12)17(23)16-2-1-9-25-16/h1-10H,(H2,20,24)(H,21,22)
InChIKeyLTHIRGIDLAURBV-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11416734) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11416734
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)c4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H13N3O2S/c20-18(24)13-7-8-14-15(10-13)22-19(21-14)12-5-3-11(4-6-12)17(23)16-2-1-9-25-16/h1-10H,(H2,20,24)(H,21,22)
InChIKeyLTHIRGIDLAURBV-UHFFFAOYSA-N
XLogP3.62
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nocodazole
CID 4122
Aminomebendazole
CID 40320
6-amino-2-((thiophen-2-ylmethyl)amino)-1,7-dihydro-8H-imidazo(4,5-g)quinazolin-8-one
CID 135800218
2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 1160447
[2-(3-aminophenyl)-1H-benzimidazol-5-yl](phenyl)methanone
CID 763432
2-(4,4,6,6-Tetramethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)-1H-benzimidazole-4-carboxylic Acid Amide
CID 11739323
ethyl N-[6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 44354817
2-(1H-Benzimidazol-2-yl)-1-(2-thienyl)ethanone
CID 2392257
N-(1H-benzimidazol-2-yl)-3-methylthiophene-2-carboxamide
CID 2084198
4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 2119148
Methanone, [5-(1-methyl-1H-benzimidazol-2-yl)-2-thienyl]phenyl-
CID 874018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 11416734) is 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(=O)c4cccs4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LTHIRGIDLAURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2S/c20-18(24)13-7-8-14-15(10-13)22-19(21-14)12-5-3-11(4-6-12)17(23)16-2-1-9-25-16/h1-10H,(H2,20,24)(H,21,22).
What are the key properties of 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophene-2-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11416734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).