5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one

C12H8N2O3 — CID 43462970

IUPAC5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccoc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H8N2O3/c15-11(8-3-4-17-6-8)7-1-2-9-10(5-7)14-12(16)13-9/h1-6H,(H2,13,14,16)
InChIKeyXIEVGNLGABRAIF-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.68
Rot. Bonds2

About 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43462970) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43462970
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccoc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H8N2O3/c15-11(8-3-4-17-6-8)7-1-2-9-10(5-7)14-12(16)13-9/h1-6H,(H2,13,14,16)
InChIKeyXIEVGNLGABRAIF-UHFFFAOYSA-N
XLogP1.68
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 43462970) is 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccoc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is XIEVGNLGABRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c15-11(8-3-4-17-6-8)7-1-2-9-10(5-7)14-12(16)13-9/h1-6H,(H2,13,14,16).
What are the key properties of 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 228.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43462970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).