1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol

C18H17N3O — CID 2968216

IUPAC1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol
SMILESOC(Cn1ccc2ccccc21)Cn1cnc2ccccc21
InChIInChI=1S/C18H17N3O/c22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,13,15,22H,11-12H2
InChIKeyHLMIKNQKYHOLTJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.05
Rot. Bonds4

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

1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol (PubChem CID 2968216) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol
PubChem CID2968216
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol
SMILESOC(Cn1ccc2ccccc21)Cn1cnc2ccccc21
InChIInChI=1S/C18H17N3O/c22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,13,15,22H,11-12H2
InChIKeyHLMIKNQKYHOLTJ-UHFFFAOYSA-N
XLogP3.05
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol (CID 2968216) is 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol is OC(Cn1ccc2ccccc21)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
The InChIKey is HLMIKNQKYHOLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-15(11-20-10-9-14-5-1-3-7-17(14)20)12-21-13-19-16-6-2-4-8-18(16)21/h1-10,13,15,22H,11-12H2.
What are the key properties of 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol?
1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 2968216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).