1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one

C24H28F2N4O — CID 14208342

IUPAC1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C24H28F2N4O/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31)
InChIKeyMYVPKBWFYFYMBK-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 14208342) has the molecular formula C24H28F2N4O and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID14208342
Molecular FormulaC24H28F2N4O
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
InChIInChI=1S/C24H28F2N4O/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31)
InChIKeyMYVPKBWFYFYMBK-UHFFFAOYSA-N
XLogP3.18
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vestipitant
CID 9832383
Irindalone
CID 65845
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44140365
3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 9826304
1-(2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 10319293
1-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazine
CID 14208318
1-(2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-3-methyl-imidazolidin-2-one
CID 14208352
1-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 15653112
3-(1-(3-Fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fluorophenyl)-imidazolidin-2-one
CID 16125682
1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one
CID 18609310
[2-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-1-yl]-[(2S)-2-(4-fluoro-2-methylphenyl)piperazin-1-yl]methanone
CID 20599010

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (CID 14208342) is 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.
What is the InChIKey of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is MYVPKBWFYFYMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31).
What are the key properties of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 426.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 14208342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).