3-(1-methylbenzimidazol-2-yl)chromen-2-one

C17H12N2O2 — CID 951231

IUPAC3-(1-methylbenzimidazol-2-yl)chromen-2-one
SMILESCn1c(-c2cc3ccccc3oc2=O)nc2ccccc21
InChIInChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20/h2-10H,1H3
InChIKeyOLZSJZITCPMVIL-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.35
Rot. Bonds1

About 3-(1-methylbenzimidazol-2-yl)chromen-2-one

3-(1-methylbenzimidazol-2-yl)chromen-2-one (PubChem CID 951231) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)chromen-2-one
PubChem CID951231
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(1-methylbenzimidazol-2-yl)chromen-2-one
SMILESCn1c(-c2cc3ccccc3oc2=O)nc2ccccc21
InChIInChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20/h2-10H,1H3
InChIKeyOLZSJZITCPMVIL-UHFFFAOYSA-N
XLogP3.35
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)chromen-2-one (CID 951231) is 3-(1-methylbenzimidazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)chromen-2-one is Cn1c(-c2cc3ccccc3oc2=O)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)chromen-2-one?
The InChIKey is OLZSJZITCPMVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-19-14-8-4-3-7-13(14)18-16(19)12-10-11-6-2-5-9-15(11)21-17(12)20/h2-10H,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)chromen-2-one?
3-(1-methylbenzimidazol-2-yl)chromen-2-one has a molecular weight of 276.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)chromen-2-one is sourced from PubChem (CID 951231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).