4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one

C24H29ClN4O4 — CID 134370437

IUPAC4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
SMILESCOc1ccc(C2NC[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
InChIInChI=1S/C24H29ClN4O4/c1-15(2)33-21-12-18(32-3)8-9-19(21)23-27-13-20(16-4-6-17(25)7-5-16)29(23)24(31)28-11-10-26-22(30)14-28/h4-9,12,15,20,23,27H,10-11,13-14H2,1-3H3,(H,26,30)/t20-,23?/m1/s1
InChIKeyQETVFLGWIZJZPP-PPUHSXQSSA-N
MW472.97 g/mol
LogP3.33
Rot. Bonds5

About 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one

4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one (PubChem CID 134370437) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
PubChem CID134370437
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Name4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
SMILESCOc1ccc(C2NC[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
InChIInChI=1S/C24H29ClN4O4/c1-15(2)33-21-12-18(32-3)8-9-19(21)23-27-13-20(16-4-6-17(25)7-5-16)29(23)24(31)28-11-10-26-22(30)14-28/h4-9,12,15,20,23,27H,10-11,13-14H2,1-3H3,(H,26,30)/t20-,23?/m1/s1
InChIKeyQETVFLGWIZJZPP-PPUHSXQSSA-N
XLogP3.33
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one
CID 71304809
4-[(4S,5R)-4-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one chloride
CID 165180670
4-[(5R)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 142572979
4-[(4R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 71023979
4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-ethoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606273
4-[4-(4-chlorophenyl)-5-(3-fluorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 118880874
4-[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 22721063
4-[(4R,5S)-4-(3,4-dimethylphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 95065700
4-[(4S,5S)-4-(3,4-dimethylphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 95065697
N-[(1R,2S)-1,2-bis(4-chlorophenyl)-2-[[hydroxy-(4-methoxy-2-propan-2-yloxyphenyl)methyl]amino]ethyl]-3-oxopiperazine-1-carboxamide
CID 134565923
4-[5-(4-chlorocyclohexa-2,4-dien-1-yl)-4-(3-fluorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 66837101
4-[[(4S,5R)-4-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-5-(3-methylphenyl)-4,5-dihydroimidazol-1-yl]methyl]piperazin-2-one
CID 146587484

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one (CID 134370437) is 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one is COc1ccc(C2NC[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1.
What is the InChIKey of 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
The InChIKey is QETVFLGWIZJZPP-PPUHSXQSSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-15(2)33-21-12-18(32-3)8-9-19(21)23-27-13-20(16-4-6-17(25)7-5-16)29(23)24(31)28-11-10-26-22(30)14-28/h4-9,12,15,20,23,27H,10-11,13-14H2,1-3H3,(H,26,30)/t20-,23?/m1/s1.
What are the key properties of 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one?
4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one has a molecular weight of 472.97 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 134370437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).