5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole

C20H22N2O2 — CID 69135066

IUPAC5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
SMILESCOCc1cc2c(nc(C)n2C)c2c1CCC(c1ccccc1)O2
InChIInChI=1S/C20H22N2O2/c1-13-21-19-17(22(13)2)11-15(12-23-3)16-9-10-18(24-20(16)19)14-7-5-4-6-8-14/h4-8,11,18H,9-10,12H2,1-3H3
InChIKeyASCDAFVIEBMORJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.09
Rot. Bonds3

About 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole

5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole (PubChem CID 69135066) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole.

Molecular Properties

Compound Name5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
PubChem CID69135066
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
SMILESCOCc1cc2c(nc(C)n2C)c2c1CCC(c1ccccc1)O2
InChIInChI=1S/C20H22N2O2/c1-13-21-19-17(22(13)2)11-15(12-23-3)16-9-10-18(24-20(16)19)14-7-5-4-6-8-14/h4-8,11,18H,9-10,12H2,1-3H3
InChIKeyASCDAFVIEBMORJ-UHFFFAOYSA-N
XLogP4.09
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole 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 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
The IUPAC name of 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole (CID 69135066) is 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole.
What is the SMILES notation for 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
The canonical SMILES for 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole is COCc1cc2c(nc(C)n2C)c2c1CCC(c1ccccc1)O2.
What is the InChIKey of 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
The InChIKey is ASCDAFVIEBMORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-21-19-17(22(13)2)11-15(12-23-3)16-9-10-18(24-20(16)19)14-7-5-4-6-8-14/h4-8,11,18H,9-10,12H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2,3-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole is sourced from PubChem (CID 69135066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).