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

C24H31Cl3N4O — CID 14208347

IUPAC1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1NCCN1CCN1CCN(C2CC(c3ccc(Cl)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H29ClN4O.2ClH/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30;;/h1-8,22-23H,9-17H2,(H,26,30);2*1H
InChIKeySBDUZWGFLPMIAQ-UHFFFAOYSA-N
MW497.90 g/mol
LogP4.40
Rot. Bonds5

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

1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride (PubChem CID 14208347) has the molecular formula C24H31Cl3N4O and a molecular weight of 497.90 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride
PubChem CID14208347
Molecular FormulaC24H31Cl3N4O
Molecular Weight497.90 g/mol
Exact Mass496.16
IUPAC Name1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1NCCN1CCN1CCN(C2CC(c3ccc(Cl)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H29ClN4O.2ClH/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30;;/h1-8,22-23H,9-17H2,(H,26,30);2*1H
InChIKeySBDUZWGFLPMIAQ-UHFFFAOYSA-N
XLogP4.40
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.90
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?
The IUPAC name of 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride (CID 14208347) is 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride is Cl.Cl.O=C1NCCN1CCN1CCN(C2CC(c3ccc(Cl)cc3)c3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?
The InChIKey is SBDUZWGFLPMIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O.2ClH/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)28-14-11-27(12-15-28)13-16-29-10-9-26-24(29)30;;/h1-8,22-23H,9-17H2,(H,26,30);2*1H.
What are the key properties of 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?
1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride has a molecular weight of 497.90 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride is sourced from PubChem (CID 14208347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).