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

C19H19N3O2 — CID 1248606

IUPAC(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
SMILESOCc1nc2ccccc2n1C[C@@H](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/t15-/m0/s1
InChIKeyWTGSVBSOJQMRQK-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.54
Rot. Bonds5

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

(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol (PubChem CID 1248606) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
PubChem CID1248606
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
SMILESOCc1nc2ccccc2n1C[C@@H](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/t15-/m0/s1
InChIKeyWTGSVBSOJQMRQK-HNNXBMFYSA-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

Analyze (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
1-amino-3-indol-1-ylpropan-2-ol
CID 66799372
(2R)-1-amino-3-indol-1-ylpropan-2-ol
CID 59762071
3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
CID 45144760
(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864
(2R)-1-(4-tert-butylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol
CID 40637460
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
2-hydroxyethyl-(2-hydroxy-3-indol-1-ylpropyl)azanium
CID 4250136

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol (CID 1248606) is (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol is OCc1nc2ccccc2n1C[C@@H](O)Cn1ccc2ccccc21.
What is the InChIKey of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
The InChIKey is WTGSVBSOJQMRQK-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol?
(2S)-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 (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 1248606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).