(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol

C19H20N2O3 — CID 73442569

IUPAC(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol
SMILESCOc1ccc(Cn2cnc3cc4c(cc32)OCC[C@@H]4O)cc1C
InChIInChI=1S/C19H20N2O3/c1-12-7-13(3-4-18(12)23-2)10-21-11-20-15-8-14-17(22)5-6-24-19(14)9-16(15)21/h3-4,7-9,11,17,22H,5-6,10H2,1-2H3/t17-/m0/s1
InChIKeyUDTAVHWDGCHTAE-KRWDZBQOSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds3

About (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol

(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol (PubChem CID 73442569) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol.

Molecular Properties

Compound Name(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol
PubChem CID73442569
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol
SMILESCOc1ccc(Cn2cnc3cc4c(cc32)OCC[C@@H]4O)cc1C
InChIInChI=1S/C19H20N2O3/c1-12-7-13(3-4-18(12)23-2)10-21-11-20-15-8-14-17(22)5-6-24-19(14)9-16(15)21/h3-4,7-9,11,17,22H,5-6,10H2,1-2H3/t17-/m0/s1
InChIKeyUDTAVHWDGCHTAE-KRWDZBQOSA-N
XLogP3.22
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol?
The IUPAC name of (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol (CID 73442569) is (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol.
What is the SMILES notation for (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol?
The canonical SMILES for (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol is COc1ccc(Cn2cnc3cc4c(cc32)OCC[C@@H]4O)cc1C.
What is the InChIKey of (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol?
The InChIKey is UDTAVHWDGCHTAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-7-13(3-4-18(12)23-2)10-21-11-20-15-8-14-17(22)5-6-24-19(14)9-16(15)21/h3-4,7-9,11,17,22H,5-6,10H2,1-2H3/t17-/m0/s1.
What are the key properties of (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol?
(8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol has a molecular weight of 324.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-[(4-methoxy-3-methylphenyl)methyl]-7,8-dihydro-6H-pyrano[3,2-f]benzimidazol-8-ol is sourced from PubChem (CID 73442569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).