[9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol

C24H24N2O2 — CID 71574551

IUPAC[9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1Cc1ccccc1)C2
InChIInChI=1S/C24H24N2O2/c1-16-20(14-27)21(15-28)23-11-19-18-9-5-6-10-22(18)26(24(19)13-25(16)23)12-17-7-3-2-4-8-17/h2-10,27-28H,11-15H2,1H3
InChIKeyFHMHOCSEUDGRPC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.74
Rot. Bonds4

About [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol

[9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol (PubChem CID 71574551) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol.

Molecular Properties

Compound Name[9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
PubChem CID71574551
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name[9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol
SMILESCc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1Cc1ccccc1)C2
InChIInChI=1S/C24H24N2O2/c1-16-20(14-27)21(15-28)23-11-19-18-9-5-6-10-22(18)26(24(19)13-25(16)23)12-17-7-3-2-4-8-17/h2-10,27-28H,11-15H2,1H3
InChIKeyFHMHOCSEUDGRPC-UHFFFAOYSA-N
XLogP3.74
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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[2-(Hydroxymethyl)-3-phenyl-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
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[3-(4-Fluorophenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
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(2-hydroxymethyl-3-methyl-8H-3a-aza-cyclopenta-[a]inden-1-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The IUPAC name of [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol (CID 71574551) is [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol.
What is the SMILES notation for [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The canonical SMILES for [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol is Cc1c(CO)c(CO)c2n1Cc1c(c3ccccc3n1Cc1ccccc1)C2.
What is the InChIKey of [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
The InChIKey is FHMHOCSEUDGRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-20(14-27)21(15-28)23-11-19-18-9-5-6-10-22(18)26(24(19)13-25(16)23)12-17-7-3-2-4-8-17/h2-10,27-28H,11-15H2,1H3.
What are the key properties of [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol?
[9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol has a molecular weight of 372.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-benzyl-3-(hydroxymethyl)-1-methyl-4,10-dihydroindolizino[6,7-b]indol-2-yl]methanol is sourced from PubChem (CID 71574551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).