1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one

C7H12N4O — CID 20695120

IUPAC1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one
SMILESC/N=C1C(=N/C)/N(C)C(=O)N/1C
InChIInChI=1S/C7H12N4O/c1-8-5-6(9-2)11(4)7(12)10(5)3/h1-4H3/b8-5-,9-6-
InChIKeyOWABTQSVLHNYSX-VVRUXRSYSA-N
MW168.20 g/mol
LogP0.04
Rot. Bonds

About 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one

1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one (PubChem CID 20695120) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one
PubChem CID20695120
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one
SMILESC/N=C1C(=N/C)/N(C)C(=O)N/1C
InChIInChI=1S/C7H12N4O/c1-8-5-6(9-2)11(4)7(12)10(5)3/h1-4H3/b8-5-,9-6-
InChIKeyOWABTQSVLHNYSX-VVRUXRSYSA-N
XLogP0.04
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-1,3-dimethyl-1,3-diazetidin-2-one
CID 163490125
1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
CID 23422721
2-N,4-N,1,3-tetramethyl-1,3-diazetidine-2,4-diimine
CID 18740086
7,11,14,18,22,26-hexamethyl-8,19-bis(methylimino)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2(26),3(12),4(9),5(25),10,13,15,20(24),21-decaene-6,17-dione
CID 118133717
5-fluoro-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 13319083
5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1201402
5-ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
5-ethenyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 59723669
7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one
CID 91149332

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one?
The IUPAC name of 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one (CID 20695120) is 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one.
What is the SMILES notation for 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one?
The canonical SMILES for 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one is C/N=C1C(=N/C)/N(C)C(=O)N/1C.
What is the InChIKey of 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one?
The InChIKey is OWABTQSVLHNYSX-VVRUXRSYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-8-5-6(9-2)11(4)7(12)10(5)3/h1-4H3/b8-5-,9-6-.
What are the key properties of 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one?
1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5-bis(methylimino)imidazolidin-2-one is sourced from PubChem (CID 20695120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).