1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C19H26N4O3 — CID 31131755

IUPAC1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCc1ccccc1CN1CCN(CN2C(=O)C(=O)N(C(C)C)C2=O)CC1
InChIInChI=1S/C19H26N4O3/c1-14(2)23-18(25)17(24)22(19(23)26)13-21-10-8-20(9-11-21)12-16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3
InChIKeyNUAWPOIHIPRNJG-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.27
Rot. Bonds5

About 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 31131755) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID31131755
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCc1ccccc1CN1CCN(CN2C(=O)C(=O)N(C(C)C)C2=O)CC1
InChIInChI=1S/C19H26N4O3/c1-14(2)23-18(25)17(24)22(19(23)26)13-21-10-8-20(9-11-21)12-16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3
InChIKeyNUAWPOIHIPRNJG-UHFFFAOYSA-N
XLogP1.27
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,7aR)-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9171115
1-(2-methylpropyl)-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione
CID 31132785
5-chloro-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9171044
4-bromo-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 35943804
2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 9244826
2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 9279439
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 94265650
1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione
CID 7824110
1-[(2-methylphenyl)methyl]-4-(3-propan-2-ylsulfonylpropyl)piperazine
CID 75426221

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 31131755) is 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is Cc1ccccc1CN1CCN(CN2C(=O)C(=O)N(C(C)C)C2=O)CC1.
What is the InChIKey of 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is NUAWPOIHIPRNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)23-18(25)17(24)22(19(23)26)13-21-10-8-20(9-11-21)12-16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 358.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 31131755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).