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

C17H14N2O2 — CID 106892538

IUPAC5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)C1Cc2ccccc2C1
InChIInChI=1S/C17H14N2O2/c20-16(13-7-10-3-1-2-4-11(10)8-13)12-5-6-14-15(9-12)19-17(21)18-14/h1-6,9,13H,7-8H2,(H2,18,19,21)
InChIKeyKEFNXIFQVGSSJS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.45
Rot. Bonds2

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

5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 106892538) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID106892538
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=C(c1ccc2[nH]c(=O)[nH]c2c1)C1Cc2ccccc2C1
InChIInChI=1S/C17H14N2O2/c20-16(13-7-10-3-1-2-4-11(10)8-13)12-5-6-14-15(9-12)19-17(21)18-14/h1-6,9,13H,7-8H2,(H2,18,19,21)
InChIKeyKEFNXIFQVGSSJS-UHFFFAOYSA-N
XLogP2.45
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 106892538) is 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is O=C(c1ccc2[nH]c(=O)[nH]c2c1)C1Cc2ccccc2C1.
What is the InChIKey of 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KEFNXIFQVGSSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(13-7-10-3-1-2-4-11(10)8-13)12-5-6-14-15(9-12)19-17(21)18-14/h1-6,9,13H,7-8H2,(H2,18,19,21).
What are the key properties of 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 106892538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).