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

C13H10N2O3 — CID 43462972

IUPAC5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H10N2O3/c1-7-9(4-5-18-7)12(16)8-2-3-10-11(6-8)15-13(17)14-10/h2-6H,1H3,(H2,14,15,17)
InChIKeyPZNBTSQPFHGTDJ-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.99
Rot. Bonds2

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

5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43462972) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43462972
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H10N2O3/c1-7-9(4-5-18-7)12(16)8-2-3-10-11(6-8)15-13(17)14-10/h2-6H,1H3,(H2,14,15,17)
InChIKeyPZNBTSQPFHGTDJ-UHFFFAOYSA-N
XLogP1.99
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 43462972) is 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one is Cc1occc1C(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PZNBTSQPFHGTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-9(4-5-18-7)12(16)8-2-3-10-11(6-8)15-13(17)14-10/h2-6H,1H3,(H2,14,15,17).
What are the key properties of 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 242.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43462972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).