1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C27H34ClFN4O — CID 19379843

IUPAC1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(C3CN(c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)C1=O
InChIInChI=1S/C27H34ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17,19-20,25H,9-16,18H2,1-2H3
InChIKeyMWWIUXFKVGDYFZ-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.57
Rot. Bonds6

About 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 19379843) has the molecular formula C27H34ClFN4O and a molecular weight of 485.05 g/mol. Its IUPAC name is 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID19379843
Molecular FormulaC27H34ClFN4O
Molecular Weight485.05 g/mol
Exact Mass484.24
IUPAC Name1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCC(C3CN(c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)C1=O
InChIInChI=1S/C27H34ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17,19-20,25H,9-16,18H2,1-2H3
InChIKeyMWWIUXFKVGDYFZ-UHFFFAOYSA-N
XLogP5.57
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 19379843) is 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN2CCC(C3CN(c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)C1=O.
What is the InChIKey of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is MWWIUXFKVGDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17,19-20,25H,9-16,18H2,1-2H3.
What are the key properties of 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 485.05 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-chloro-1-(4-fluorophenyl)-2,3-dihydroindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 19379843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).