3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one

C17H12N2O2 — CID 686134

IUPAC3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one
SMILESCc1ccc2nc(-c3cc4ccccc4oc3=O)[nH]c2c1
InChIInChI=1S/C17H12N2O2/c1-10-6-7-13-14(8-10)19-16(18-13)12-9-11-4-2-3-5-15(11)21-17(12)20/h2-9H,1H3,(H,18,19)
InChIKeyJDXINSHDZIWQKE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.64
Rot. Bonds1

About 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one

3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one (PubChem CID 686134) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one
PubChem CID686134
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one
SMILESCc1ccc2nc(-c3cc4ccccc4oc3=O)[nH]c2c1
InChIInChI=1S/C17H12N2O2/c1-10-6-7-13-14(8-10)19-16(18-13)12-9-11-4-2-3-5-15(11)21-17(12)20/h2-9H,1H3,(H,18,19)
InChIKeyJDXINSHDZIWQKE-UHFFFAOYSA-N
XLogP3.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one?
The IUPAC name of 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one (CID 686134) is 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one is Cc1ccc2nc(-c3cc4ccccc4oc3=O)[nH]c2c1.
What is the InChIKey of 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one?
The InChIKey is JDXINSHDZIWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-10-6-7-13-14(8-10)19-16(18-13)12-9-11-4-2-3-5-15(11)21-17(12)20/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one?
3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one has a molecular weight of 276.30 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1H-benzimidazol-2-yl)chromen-2-one is sourced from PubChem (CID 686134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).