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

C25H32N4O2 — CID 14208340

IUPAC1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESCOc1ccc(C2CC(N3CCN(CCN4CCNC4=O)CC3)c3ccccc32)cc1
InChIInChI=1S/C25H32N4O2/c1-31-20-8-6-19(7-9-20)23-18-24(22-5-3-2-4-21(22)23)28-15-12-27(13-16-28)14-17-29-11-10-26-25(29)30/h2-9,23-24H,10-18H2,1H3,(H,26,30)
InChIKeyYJQDMAVDLRKARR-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.91
Rot. Bonds6

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

1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 14208340) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID14208340
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESCOc1ccc(C2CC(N3CCN(CCN4CCNC4=O)CC3)c3ccccc32)cc1
InChIInChI=1S/C25H32N4O2/c1-31-20-8-6-19(7-9-20)23-18-24(22-5-3-2-4-21(22)23)28-15-12-27(13-16-28)14-17-29-11-10-26-25(29)30/h2-9,23-24H,10-18H2,1H3,(H,26,30)
InChIKeyYJQDMAVDLRKARR-UHFFFAOYSA-N
XLogP2.91
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (CID 14208340) is 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is COc1ccc(C2CC(N3CCN(CCN4CCNC4=O)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is YJQDMAVDLRKARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-31-20-8-6-19(7-9-20)23-18-24(22-5-3-2-4-21(22)23)28-15-12-27(13-16-28)14-17-29-11-10-26-25(29)30/h2-9,23-24H,10-18H2,1H3,(H,26,30).
What are the key properties of 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 420.56 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 14208340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).