2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole

C19H16F3N3O — CID 154002152

IUPAC2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole
SMILESCCn1c(-c2nc3cccc(OC(F)(F)F)c3n2C)cc2ccccc21
InChIInChI=1S/C19H16F3N3O/c1-3-25-14-9-5-4-7-12(14)11-15(25)18-23-13-8-6-10-16(17(13)24(18)2)26-19(20,21)22/h4-11H,3H2,1-2H3
InChIKeyRFOSWJQWBWPVST-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.11
Rot. Bonds3

About 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole

2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole (PubChem CID 154002152) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole
PubChem CID154002152
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole
SMILESCCn1c(-c2nc3cccc(OC(F)(F)F)c3n2C)cc2ccccc21
InChIInChI=1S/C19H16F3N3O/c1-3-25-14-9-5-4-7-12(14)11-15(25)18-23-13-8-6-10-16(17(13)24(18)2)26-19(20,21)22/h4-11H,3H2,1-2H3
InChIKeyRFOSWJQWBWPVST-UHFFFAOYSA-N
XLogP5.11
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride
CID 175102310
1-ethyl-2-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-c]pyridine
CID 141448929
2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid
CID 122702871
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351492
[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351494
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
CID 40693672
N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-5-hydroxypiperidin-3-yl]-2,2,2-trifluoroacetamide
CID 122703078
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
CID 122703075
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-5-[(2,2,2-trifluoroacetyl)amino]piperidine-3-carboxamide
CID 135355636
2-(2-bromophenyl)-1-ethylindole
CID 141407041
[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 145189517

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole?
The IUPAC name of 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole (CID 154002152) is 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole is CCn1c(-c2nc3cccc(OC(F)(F)F)c3n2C)cc2ccccc21.
What is the InChIKey of 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole?
The InChIKey is RFOSWJQWBWPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-3-25-14-9-5-4-7-12(14)11-15(25)18-23-13-8-6-10-16(17(13)24(18)2)26-19(20,21)22/h4-11H,3H2,1-2H3.
What are the key properties of 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole?
2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole has a molecular weight of 359.35 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 154002152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).