1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one

C24H25F4N5O — CID 19753560

IUPAC1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCC1CNCCN1c1cn(-c2ccc(F)cc2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H25F4N5O/c25-17-2-4-18(5-3-17)33-15-22(20-13-16(24(26,27)28)1-6-21(20)33)32-12-8-29-14-19(32)7-10-31-11-9-30-23(31)34/h1-6,13,15,19,29H,7-12,14H2,(H,30,34)
InChIKeyMSIMKHIZDCFIOQ-UHFFFAOYSA-N
MW475.49 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one

1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one (PubChem CID 19753560) has the molecular formula C24H25F4N5O and a molecular weight of 475.49 g/mol. Its IUPAC name is 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one
PubChem CID19753560
Molecular FormulaC24H25F4N5O
Molecular Weight475.49 g/mol
Exact Mass475.20
IUPAC Name1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCC1CNCCN1c1cn(-c2ccc(F)cc2)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C24H25F4N5O/c25-17-2-4-18(5-3-17)33-15-22(20-13-16(24(26,27)28)1-6-21(20)33)32-12-8-29-14-19(32)7-10-31-11-9-30-23(31)34/h1-6,13,15,19,29H,7-12,14H2,(H,30,34)
InChIKeyMSIMKHIZDCFIOQ-UHFFFAOYSA-N
XLogP3.98
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one (CID 19753560) is 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCC1CNCCN1c1cn(-c2ccc(F)cc2)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one?
The InChIKey is MSIMKHIZDCFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N5O/c25-17-2-4-18(5-3-17)33-15-22(20-13-16(24(26,27)28)1-6-21(20)33)32-12-8-29-14-19(32)7-10-31-11-9-30-23(31)34/h1-6,13,15,19,29H,7-12,14H2,(H,30,34).
What are the key properties of 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one?
1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one has a molecular weight of 475.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperazin-2-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 19753560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).