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

C18H13N3O2 — CID 1084669

IUPACN-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C18H13N3O2/c22-18(16-7-4-10-23-16)19-13-8-9-14-15(11-13)21-17(20-14)12-5-2-1-3-6-12/h1-11H,(H,19,22)(H,20,21)
InChIKeyMMNYZUCQZFQGIX-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.08
Rot. Bonds3

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

N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide (PubChem CID 1084669) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide
PubChem CID1084669
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C18H13N3O2/c22-18(16-7-4-10-23-16)19-13-8-9-14-15(11-13)21-17(20-14)12-5-2-1-3-6-12/h1-11H,(H,19,22)(H,20,21)
InChIKeyMMNYZUCQZFQGIX-UHFFFAOYSA-N
XLogP4.08
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide (CID 1084669) is N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is MMNYZUCQZFQGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18(16-7-4-10-23-16)19-13-8-9-14-15(11-13)21-17(20-14)12-5-2-1-3-6-12/h1-11H,(H,19,22)(H,20,21).
What are the key properties of N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide?
N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-3H-benzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1084669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).