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

C16H11N3O3 — CID 645884

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1
InChIInChI=1S/C16H11N3O3/c20-16(14-4-2-8-22-14)17-10-5-6-11-12(9-10)19-15(18-11)13-3-1-7-21-13/h1-9H,(H,17,20)(H,18,19)
InChIKeyVFRGLKOREIOWJZ-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.67
Rot. Bonds3

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

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 645884) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
PubChem CID645884
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1
InChIInChI=1S/C16H11N3O3/c20-16(14-4-2-8-22-14)17-10-5-6-11-12(9-10)19-15(18-11)13-3-1-7-21-13/h1-9H,(H,17,20)(H,18,19)
InChIKeyVFRGLKOREIOWJZ-UHFFFAOYSA-N
XLogP3.67
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fuberidazole
CID 19756
N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 763448
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
CID 828702
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 655022
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-(2-thienyl)-1H-benzimidazol-5-yl]-2-furamide
CID 828646
N-(2-phenyl-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 1084669
2-(5-Methyl-2-furyl)benzimidazole
CID 827976
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide (CID 645884) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is VFRGLKOREIOWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16(14-4-2-8-22-14)17-10-5-6-11-12(9-10)19-15(18-11)13-3-1-7-21-13/h1-9H,(H,17,20)(H,18,19).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 645884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).