(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C17H20Cl2N4O3 — CID 124591197

IUPAC(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1
InChIInChI=1S/C17H20Cl2N4O3/c1-10-9-22(7-6-20-10)15(24)5-4-14-16(25)23(17(26)21-14)11-2-3-12(18)13(19)8-11/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,21,26)/t10-,14-/m1/s1
InChIKeyIXOJQYSKHCGBEX-QMTHXVAHSA-N
MW399.28 g/mol
LogP2.02
Rot. Bonds4

About (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 124591197) has the molecular formula C17H20Cl2N4O3 and a molecular weight of 399.28 g/mol. Its IUPAC name is (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID124591197
Molecular FormulaC17H20Cl2N4O3
Molecular Weight399.28 g/mol
Exact Mass398.09
IUPAC Name(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1
InChIInChI=1S/C17H20Cl2N4O3/c1-10-9-22(7-6-20-10)15(24)5-4-14-16(25)23(17(26)21-14)11-2-3-12(18)13(19)8-11/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,21,26)/t10-,14-/m1/s1
InChIKeyIXOJQYSKHCGBEX-QMTHXVAHSA-N
XLogP2.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-3-(3,4-dichlorophenyl)imidazolidine-2,4-dione
CID 124699464
(5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124571377
methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 166233884
3-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 12900458
4-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)butan-1-one
CID 42741272
5-[3-[3-[4-(aminomethyl)triazol-1-yl]piperidin-1-yl]-3-oxopropyl]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 166331717
4-(4-chloro-3-methylphenoxy)-1-(3-methylpiperazin-1-yl)butan-1-one;hydrochloride
CID 119577495
1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 177250754
N-[3-[(4S)-4-[3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-oxopropyl]-2,5-dioxoimidazolidin-1-yl]phenyl]acetamide
CID 110206841
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
3-(4-fluorophenyl)-5-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 56814098

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 124591197) is (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1.
What is the InChIKey of (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is IXOJQYSKHCGBEX-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3/c1-10-9-22(7-6-20-10)15(24)5-4-14-16(25)23(17(26)21-14)11-2-3-12(18)13(19)8-11/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,21,26)/t10-,14-/m1/s1.
What are the key properties of (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 399.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,4-dichlorophenyl)-5-[3-[(3R)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124591197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).