1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one

C20H20FN3O2 — CID 100745931

IUPAC1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CCc3cc(F)ccc32)c2ccccc21
InChIInChI=1S/C20H20FN3O2/c1-2-22-17-5-3-4-6-18(17)24(20(22)26)12-10-19(25)23-11-9-14-13-15(21)7-8-16(14)23/h3-8,13H,2,9-12H2,1H3
InChIKeyQUVGBFZKHIUJMX-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.94
Rot. Bonds4

About 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one

1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one (PubChem CID 100745931) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
PubChem CID100745931
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(CCC(=O)N2CCc3cc(F)ccc32)c2ccccc21
InChIInChI=1S/C20H20FN3O2/c1-2-22-17-5-3-4-6-18(17)24(20(22)26)12-10-19(25)23-11-9-14-13-15(21)7-8-16(14)23/h3-8,13H,2,9-12H2,1H3
InChIKeyQUVGBFZKHIUJMX-UHFFFAOYSA-N
XLogP2.94
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 16590199
1-ethyl-3-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzimidazol-2-one
CID 55480391
N-[1-(2,4-difluorophenyl)ethyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 43035296
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 112835829
N-ethyl-3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(3-fluorophenyl)methyl]propanamide
CID 18116161
1-ethyl-3-[3-[4-(2-methylsulfonylethyl)piperazin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 56533669
1-ethyl-3-[3-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-3-oxopropyl]benzimidazol-2-one
CID 42925315
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one (CID 100745931) is 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one is CCn1c(=O)n(CCC(=O)N2CCc3cc(F)ccc32)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one?
The InChIKey is QUVGBFZKHIUJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-22-17-5-3-4-6-18(17)24(20(22)26)12-10-19(25)23-11-9-14-13-15(21)7-8-16(14)23/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one?
1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one has a molecular weight of 353.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(5-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]benzimidazol-2-one is sourced from PubChem (CID 100745931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).