[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol

C21H24N2O3 — CID 46223352

IUPAC[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol
SMILESCOC1(c2ccccc2C)CCc2c(CO)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C21H24N2O3/c1-13-7-5-6-8-17(13)21(25-4)10-9-16-15(12-24)11-18-19(20(16)26-21)22-14(2)23(18)3/h5-8,11,24H,9-10,12H2,1-4H3
InChIKeyAVRQZMMHYMTKHR-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.51
Rot. Bonds3

About [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol

[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol (PubChem CID 46223352) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol
PubChem CID46223352
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol
SMILESCOC1(c2ccccc2C)CCc2c(CO)cc3c(nc(C)n3C)c2O1
InChIInChI=1S/C21H24N2O3/c1-13-7-5-6-8-17(13)21(25-4)10-9-16-15(12-24)11-18-19(20(16)26-21)22-14(2)23(18)3/h5-8,11,24H,9-10,12H2,1-4H3
InChIKeyAVRQZMMHYMTKHR-UHFFFAOYSA-N
XLogP3.51
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol?
The IUPAC name of [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol (CID 46223352) is [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol.
What is the SMILES notation for [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol?
The canonical SMILES for [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol is COC1(c2ccccc2C)CCc2c(CO)cc3c(nc(C)n3C)c2O1.
What is the InChIKey of [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol?
The InChIKey is AVRQZMMHYMTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-7-5-6-8-17(13)21(25-4)10-9-16-15(12-24)11-18-19(20(16)26-21)22-14(2)23(18)3/h5-8,11,24H,9-10,12H2,1-4H3.
What are the key properties of [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol?
[8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol has a molecular weight of 352.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methoxy-2,3-dimethyl-8-(2-methylphenyl)-6,7-dihydropyrano[2,3-e]benzimidazol-5-yl]methanol is sourced from PubChem (CID 46223352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).