2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C23H23F2N5O2 — CID 56561355

IUPAC2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H23F2N5O2/c24-21(25)22-26-17-6-5-16(13-18(17)27-22)23(32)29-11-9-28(10-12-29)14-20(31)30-8-7-15-3-1-2-4-19(15)30/h1-6,13,21H,7-12,14H2,(H,26,27)
InChIKeyWLYVOMYFPTWTRG-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 56561355) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID56561355
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C23H23F2N5O2/c24-21(25)22-26-17-6-5-16(13-18(17)27-22)23(32)29-11-9-28(10-12-29)14-20(31)30-8-7-15-3-1-2-4-19(15)30/h1-6,13,21H,7-12,14H2,(H,26,27)
InChIKeyWLYVOMYFPTWTRG-UHFFFAOYSA-N
XLogP2.85
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 56516463
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]ethanone
CID 52686521
3-methyl-1-[6-methyl-9-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]butan-1-one
CID 133068479
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55960141
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166199749
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
6-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053084
1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119857339
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(piperidine-1-carbonyl)-1,4-benzoxazin-3-one
CID 53012277
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55868118
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 56561355) is 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(c1ccc2nc(C(F)F)[nH]c2c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is WLYVOMYFPTWTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c24-21(25)22-26-17-6-5-16(13-18(17)27-22)23(32)29-11-9-28(10-12-29)14-20(31)30-8-7-15-3-1-2-4-19(15)30/h1-6,13,21H,7-12,14H2,(H,26,27).
What are the key properties of 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 439.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 56561355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).