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

C18H14N2O4 — CID 4902022

IUPAC6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3nc4ccc(OC)cc4[nH]3)cc2c1
InChIInChI=1S/C18H14N2O4/c1-22-11-4-6-16-10(7-11)8-13(18(21)24-16)17-19-14-5-3-12(23-2)9-15(14)20-17/h3-9H,1-2H3,(H,19,20)
InChIKeyBDNHZVAHQVOFBA-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.35
Rot. Bonds3

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

6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one (PubChem CID 4902022) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one
PubChem CID4902022
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3nc4ccc(OC)cc4[nH]3)cc2c1
InChIInChI=1S/C18H14N2O4/c1-22-11-4-6-16-10(7-11)8-13(18(21)24-16)17-19-14-5-3-12(23-2)9-15(14)20-17/h3-9H,1-2H3,(H,19,20)
InChIKeyBDNHZVAHQVOFBA-UHFFFAOYSA-N
XLogP3.35
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one?
The IUPAC name of 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one (CID 4902022) is 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one.
What is the SMILES notation for 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one?
The canonical SMILES for 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one is COc1ccc2oc(=O)c(-c3nc4ccc(OC)cc4[nH]3)cc2c1.
What is the InChIKey of 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one?
The InChIKey is BDNHZVAHQVOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-22-11-4-6-16-10(7-11)8-13(18(21)24-16)17-19-14-5-3-12(23-2)9-15(14)20-17/h3-9H,1-2H3,(H,19,20).
What are the key properties of 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one?
6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one has a molecular weight of 322.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(6-methoxy-1H-benzimidazol-2-yl)chromen-2-one is sourced from PubChem (CID 4902022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).