1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol

C19H19N3O2 — CID 2967179

IUPAC1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
SMILESOCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21
InChIInChI=1S/C19H19N3O2/c23-13-19-20-16-6-2-4-8-18(16)22(19)12-15(24)11-21-10-9-14-5-1-3-7-17(14)21/h1-10,15,23-24H,11-13H2
InChIKeyWTGSVBSOJQMRQK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.54
Rot. Bonds5

About 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol

1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol (PubChem CID 2967179) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
PubChem CID2967179
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
SMILESOCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21
InChIInChI=1S/C19H19N3O2/c23-13-19-20-16-6-2-4-8-18(16)22(19)12-15(24)11-21-10-9-14-5-1-3-7-17(14)21/h1-10,15,23-24H,11-13H2
InChIKeyWTGSVBSOJQMRQK-UHFFFAOYSA-N
XLogP2.54
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol (CID 2967179) is 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol is OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21.
What is the InChIKey of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
The InChIKey is WTGSVBSOJQMRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-13-19-20-16-6-2-4-8-18(16)22(19)12-15(24)11-21-10-9-14-5-1-3-7-17(14)21/h1-10,15,23-24H,11-13H2.
What are the key properties of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol has a molecular weight of 321.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 2967179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).