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

C14H12N2O3 — CID 55053659

IUPAC5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3ccco3)ccc21
InChIInChI=1S/C14H12N2O3/c1-15-10-6-5-9(8-11(10)16(2)14(15)18)13(17)12-4-3-7-19-12/h3-8H,1-2H3
InChIKeyGIWKZHVIVKKDII-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.70
Rot. Bonds2

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

5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 55053659) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID55053659
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(=O)c3ccco3)ccc21
InChIInChI=1S/C14H12N2O3/c1-15-10-6-5-9(8-11(10)16(2)14(15)18)13(17)12-4-3-7-19-12/h3-8H,1-2H3
InChIKeyGIWKZHVIVKKDII-UHFFFAOYSA-N
XLogP1.70
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one (CID 55053659) is 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(=O)c3ccco3)ccc21.
What is the InChIKey of 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is GIWKZHVIVKKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-15-10-6-5-9(8-11(10)16(2)14(15)18)13(17)12-4-3-7-19-12/h3-8H,1-2H3.
What are the key properties of 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one?
5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 256.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 55053659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).