1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C21H20F3N3O — CID 17028437

IUPAC1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1c(C)n(CC(O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc12
InChIInChI=1S/C21H20F3N3O/c1-13-14(2)26(18-9-5-3-7-16(13)18)11-15(28)12-27-19-10-6-4-8-17(19)25-20(27)21(22,23)24/h3-10,15,28H,11-12H2,1-2H3
InChIKeyDGBWCDMZVRGXLT-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.69
Rot. Bonds4

About 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 17028437) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID17028437
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1c(C)n(CC(O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc12
InChIInChI=1S/C21H20F3N3O/c1-13-14(2)26(18-9-5-3-7-16(13)18)11-15(28)12-27-19-10-6-4-8-17(19)25-20(27)21(22,23)24/h3-10,15,28H,11-12H2,1-2H3
InChIKeyDGBWCDMZVRGXLT-UHFFFAOYSA-N
XLogP4.69
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 17028437) is 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is Cc1c(C)n(CC(O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is DGBWCDMZVRGXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-13-14(2)26(18-9-5-3-7-16(13)18)11-15(28)12-27-19-10-6-4-8-17(19)25-20(27)21(22,23)24/h3-10,15,28H,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 387.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 17028437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).