1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione

C5H8ClN3O2 — CID 170447593

IUPAC1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(N(C)Cl)C1=O
InChIInChI=1S/C5H8ClN3O2/c1-7-4(10)3-9(5(7)11)8(2)6/h3H2,1-2H3
InChIKeyMAJVODNLOXNPAZ-UHFFFAOYSA-N
MW177.59 g/mol
LogP-0.12
Rot. Bonds1

About 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione

1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione (PubChem CID 170447593) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione
PubChem CID170447593
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(N(C)Cl)C1=O
InChIInChI=1S/C5H8ClN3O2/c1-7-4(10)3-9(5(7)11)8(2)6/h3H2,1-2H3
InChIKeyMAJVODNLOXNPAZ-UHFFFAOYSA-N
XLogP-0.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
1-[[methoxy(methyl)amino]methyl]-3-methylimidazolidine-2,4-dione
CID 131176157
1,3-dimethylimidazolidine-2,4-dione;ethane;1-ethyl-3-methylimidazolidine-2,4-dione
CID 142135438
1,3-dimethylimidazolidine-2,4-dione;1,3-dimethyl-4-methylideneimidazolidin-2-one
CID 159940640
1,3-dimethylimidazolidine-2,4-dione;imidazolidine-2,4-dione
CID 71073934
ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
1-butyl-3-methylimidazolidine-2,4-dione;ethane
CID 176672470
1-ethyl-3-methyl-1,3-diazinane-2,4,6-trione
CID 12864692
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-(4-chloro-2-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
CID 71357247
1,3-dimethyl-2-sulfanylideneimidazolidin-4-one;ethane
CID 142135855

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione (CID 170447593) is 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(N(C)Cl)C1=O.
What is the InChIKey of 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione?
The InChIKey is MAJVODNLOXNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3O2/c1-7-4(10)3-9(5(7)11)8(2)6/h3H2,1-2H3.
What are the key properties of 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione?
1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione has a molecular weight of 177.59 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(methyl)amino]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 170447593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).