N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide

C16H11N3O2S — CID 828646

IUPACN-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1ccco1
InChIInChI=1S/C16H11N3O2S/c20-16(13-3-1-7-21-13)17-10-5-6-11-12(9-10)19-15(18-11)14-4-2-8-22-14/h1-9H,(H,17,20)(H,18,19)
InChIKeyLMQKIWHZTIQKJA-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.14
Rot. Bonds3

About N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide

N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide (PubChem CID 828646) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
PubChem CID828646
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC NameN-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1ccco1
InChIInChI=1S/C16H11N3O2S/c20-16(13-3-1-7-21-13)17-10-5-6-11-12(9-10)19-15(18-11)14-4-2-8-22-14/h1-9H,(H,17,20)(H,18,19)
InChIKeyLMQKIWHZTIQKJA-UHFFFAOYSA-N
XLogP4.14
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 664956
N-[2-(2-furyl)-1H-benzimidazol-5-yl]-2-thiophenecarboxamide
CID 828644
N-(2-phenyl-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 1084669
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-2-furamide
CID 828712
N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]furan-2-carboxamide
CID 3740831
N-{2-[5-(butanoylamino)-1-methyl-1H-benzimidazol-2-yl]ethyl}furan-2-carboxamide
CID 4891268
N-[2-(1H-benzimidazol-2-ylmethylamino)-2-keto-ethyl]-2-furamide
CID 17417192
N-[2-(5-bromofuran-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 665084
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]furan-2-carboxamide
CID 653218
N-[2-(furan-2-yl)-1H-benzimidazol-5-yl]acetamide
CID 892850
N-[2-(furan-2-yl)-1H-benzimidazol-5-yl]furan-2-carboxamide
CID 645884

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide (CID 828646) is N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nc(-c3cccs3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is LMQKIWHZTIQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c20-16(13-3-1-7-21-13)17-10-5-6-11-12(9-10)19-15(18-11)14-4-2-8-22-14/h1-9H,(H,17,20)(H,18,19).
What are the key properties of N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 828646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).