1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C22H25ClN4O2 — CID 55830150

IUPAC1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C22H25ClN4O2/c1-16(19-7-2-3-8-20(19)23)25-11-13-26(14-12-25)21(28)17-5-4-6-18(15-17)27-10-9-24-22(27)29/h2-8,15-16H,9-14H2,1H3,(H,24,29)
InChIKeyISDCTIZRPYLZRJ-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.39
Rot. Bonds4

About 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 55830150) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID55830150
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1
InChIInChI=1S/C22H25ClN4O2/c1-16(19-7-2-3-8-20(19)23)25-11-13-26(14-12-25)21(28)17-5-4-6-18(15-17)27-10-9-24-22(27)29/h2-8,15-16H,9-14H2,1H3,(H,24,29)
InChIKeyISDCTIZRPYLZRJ-UHFFFAOYSA-N
XLogP3.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55700209
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55774411
(9aR)-8-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95131956
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55761742
2-(2-chlorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110350035
1-[1-(2-chlorophenyl)ethyl]imidazolidin-2-one
CID 115370564
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 55830150) is 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one is CC(c1ccccc1Cl)N1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1.
What is the InChIKey of 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is ISDCTIZRPYLZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-16(19-7-2-3-8-20(19)23)25-11-13-26(14-12-25)21(28)17-5-4-6-18(15-17)27-10-9-24-22(27)29/h2-8,15-16H,9-14H2,1H3,(H,24,29).
What are the key properties of 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 412.92 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 55830150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).