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

C13H10N2O3 — CID 43462964

IUPAC5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C13H10N2O3/c1-7-2-5-11(18-7)12(16)8-3-4-9-10(6-8)15-13(17)14-9/h2-6H,1H3,(H2,14,15,17)
InChIKeyPHXPVGLPBGQGEF-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.99
Rot. Bonds2

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

5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43462964) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43462964
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1
InChIInChI=1S/C13H10N2O3/c1-7-2-5-11(18-7)12(16)8-3-4-9-10(6-8)15-13(17)14-9/h2-6H,1H3,(H2,14,15,17)
InChIKeyPHXPVGLPBGQGEF-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-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 43462964) is 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is Cc1ccc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1.
What is the InChIKey of 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PHXPVGLPBGQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-2-5-11(18-7)12(16)8-3-4-9-10(6-8)15-13(17)14-9/h2-6H,1H3,(H2,14,15,17).
What are the key properties of 5-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(5-methylfuran-2-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-(5-methylfuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43462964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).