1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone

C18H14F3N3O — CID 58720118

IUPAC1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H14F3N3O/c1-10(25)24-15-5-3-2-4-11(15)8-16(24)17-22-13-7-6-12(18(19,20)21)9-14(13)23-17/h2-7,9,16H,8H2,1H3,(H,22,23)
InChIKeyFVHKXPIORWOZHU-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.23
Rot. Bonds1

About 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone

1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 58720118) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID58720118
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H14F3N3O/c1-10(25)24-15-5-3-2-4-11(15)8-16(24)17-22-13-7-6-12(18(19,20)21)9-14(13)23-17/h2-7,9,16H,8H2,1H3,(H,22,23)
InChIKeyFVHKXPIORWOZHU-UHFFFAOYSA-N
XLogP4.23
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone (CID 58720118) is 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2CC1c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is FVHKXPIORWOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-10(25)24-15-5-3-2-4-11(15)8-16(24)17-22-13-7-6-12(18(19,20)21)9-14(13)23-17/h2-7,9,16H,8H2,1H3,(H,22,23).
What are the key properties of 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone?
1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 345.32 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 58720118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).