5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione

C19H25ClN4O4 — CID 155483984

IUPAC5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CCN(C(=O)C(C)CC3NC(=O)NC3=O)C[C@@H]2C)ccc1Cl
InChIInChI=1S/C19H25ClN4O4/c1-11(8-15-17(25)22-19(27)21-15)18(26)23-6-7-24(12(2)10-23)13-4-5-14(20)16(9-13)28-3/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H2,21,22,25,27)/t11?,12-,15?/m0/s1
InChIKeyIGZXGTASNLQRAM-AVERBVTBSA-N
MW408.89 g/mol
LogP1.62
Rot. Bonds5

About 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 155483984) has the molecular formula C19H25ClN4O4 and a molecular weight of 408.89 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID155483984
Molecular FormulaC19H25ClN4O4
Molecular Weight408.89 g/mol
Exact Mass408.16
IUPAC Name5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1cc(N2CCN(C(=O)C(C)CC3NC(=O)NC3=O)C[C@@H]2C)ccc1Cl
InChIInChI=1S/C19H25ClN4O4/c1-11(8-15-17(25)22-19(27)21-15)18(26)23-6-7-24(12(2)10-23)13-4-5-14(20)16(9-13)28-3/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H2,21,22,25,27)/t11?,12-,15?/m0/s1
InChIKeyIGZXGTASNLQRAM-AVERBVTBSA-N
XLogP1.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (CID 155483984) is 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is COc1cc(N2CCN(C(=O)C(C)CC3NC(=O)NC3=O)C[C@@H]2C)ccc1Cl.
What is the InChIKey of 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is IGZXGTASNLQRAM-AVERBVTBSA-N. The full InChI is InChI=1S/C19H25ClN4O4/c1-11(8-15-17(25)22-19(27)21-15)18(26)23-6-7-24(12(2)10-23)13-4-5-14(20)16(9-13)28-3/h4-5,9,11-12,15H,6-8,10H2,1-3H3,(H2,21,22,25,27)/t11?,12-,15?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 408.89 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(4-chloro-3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155483984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).