5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

C16H12N2O3 — CID 43338649

IUPAC5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H12N2O3/c19-15(14-8-9-3-1-2-4-13(9)21-14)10-5-6-11-12(7-10)18-16(20)17-11/h1-7,14H,8H2,(H2,17,18,20)
InChIKeyOTGLSYVJNCDULB-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.04
Rot. Bonds2

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

5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43338649) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID43338649
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H12N2O3/c19-15(14-8-9-3-1-2-4-13(9)21-14)10-5-6-11-12(7-10)18-16(20)17-11/h1-7,14H,8H2,(H2,17,18,20)
InChIKeyOTGLSYVJNCDULB-UHFFFAOYSA-N
XLogP2.04
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 43338649) is 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)C1Cc2ccccc2O1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OTGLSYVJNCDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(14-8-9-3-1-2-4-13(9)21-14)10-5-6-11-12(7-10)18-16(20)17-11/h1-7,14H,8H2,(H2,17,18,20).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 280.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43338649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).