N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide

C18H13N3O2 — CID 655022

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1
InChIInChI=1S/C18H13N3O2/c22-18(16-9-4-10-23-16)19-13-6-3-5-12(11-13)17-20-14-7-1-2-8-15(14)21-17/h1-11H,(H,19,22)(H,20,21)
InChIKeyLWMXSFDBHXPLLD-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.08
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 655022) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID655022
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1
InChIInChI=1S/C18H13N3O2/c22-18(16-9-4-10-23-16)19-13-6-3-5-12(11-13)17-20-14-7-1-2-8-15(14)21-17/h1-11H,(H,19,22)(H,20,21)
InChIKeyLWMXSFDBHXPLLD-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-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide (CID 655022) is N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is LWMXSFDBHXPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18(16-9-4-10-23-16)19-13-6-3-5-12(11-13)17-20-14-7-1-2-8-15(14)21-17/h1-11H,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]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-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 655022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).