5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H24N4O3 — CID 56808778

IUPAC5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ccccc1CN1CCCN(C(=O)CC2NC(=O)NC2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-13-5-2-3-6-14(13)12-21-7-4-8-22(10-9-21)16(23)11-15-17(24)20-18(25)19-15/h2-3,5-6,15H,4,7-12H2,1H3,(H2,19,20,24,25)
InChIKeyLYNGSGCUXCSDHA-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.63
Rot. Bonds4

About 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 56808778) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID56808778
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1ccccc1CN1CCCN(C(=O)CC2NC(=O)NC2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-13-5-2-3-6-14(13)12-21-7-4-8-22(10-9-21)16(23)11-15-17(24)20-18(25)19-15/h2-3,5-6,15H,4,7-12H2,1H3,(H2,19,20,24,25)
InChIKeyLYNGSGCUXCSDHA-UHFFFAOYSA-N
XLogP0.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.63
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

2-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55656088
(2S)-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 8642377
5-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56807603
5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688
(5S)-5-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]imidazolidine-2,4-dione
CID 99929142
N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 34739578
2-[2-hydroxyethyl(methyl)amino]-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110899232
2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
1-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 56812349
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 56808778) is 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Cc1ccccc1CN1CCCN(C(=O)CC2NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is LYNGSGCUXCSDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-5-2-3-6-14(13)12-21-7-4-8-22(10-9-21)16(23)11-15-17(24)20-18(25)19-15/h2-3,5-6,15H,4,7-12H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56808778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).