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

C21H24N2O2 — CID 15602916

IUPAC(8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
SMILESCOCc1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2
InChIInChI=1S/C21H24N2O2/c1-13-7-5-6-8-16(13)19-10-9-17-15(12-24-4)11-18-20(21(17)25-19)22-14(2)23(18)3/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1
InChIKeyLRYNMPXTHXKRSL-IBGZPJMESA-N
MW336.44 g/mol
LogP4.40
Rot. Bonds3

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

(8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole (PubChem CID 15602916) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole.

Molecular Properties

Compound Name(8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
PubChem CID15602916
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole
SMILESCOCc1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2
InChIInChI=1S/C21H24N2O2/c1-13-7-5-6-8-16(13)19-10-9-17-15(12-24-4)11-18-20(21(17)25-19)22-14(2)23(18)3/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1
InChIKeyLRYNMPXTHXKRSL-IBGZPJMESA-N
XLogP4.40
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
The IUPAC name of (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole (CID 15602916) is (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole.
What is the SMILES notation for (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
The canonical SMILES for (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole is COCc1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2.
What is the InChIKey of (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
The InChIKey is LRYNMPXTHXKRSL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13-7-5-6-8-16(13)19-10-9-17-15(12-24-4)11-18-20(21(17)25-19)22-14(2)23(18)3/h5-8,11,19H,9-10,12H2,1-4H3/t19-/m0/s1.
What are the key properties of (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole?
(8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole has a molecular weight of 336.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-(methoxymethyl)-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole is sourced from PubChem (CID 15602916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).