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

C18H16N4O5 — CID 10067588

IUPAC4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one
SMILESC=C1N(c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C18H16N4O5/c1-12-18(2,3)20(14-6-10-16(11-7-14)22(26)27)17(23)19(12)13-4-8-15(9-5-13)21(24)25/h4-11H,1H2,2-3H3
InChIKeyGVQKKSABRWBINY-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.24
Rot. Bonds4

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

4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one (PubChem CID 10067588) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one
PubChem CID10067588
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one
SMILESC=C1N(c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C18H16N4O5/c1-12-18(2,3)20(14-6-10-16(11-7-14)22(26)27)17(23)19(12)13-4-8-15(9-5-13)21(24)25/h4-11H,1H2,2-3H3
InChIKeyGVQKKSABRWBINY-UHFFFAOYSA-N
XLogP4.24
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-1-(4-nitrophenyl)-3-phenyl-4-sulfanylideneazetidin-2-one
CID 139037539
5,5-dimethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 115429011
3,4-dichloro-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 7109767
11,13-bis(4-nitrophenyl)-5,9,11,13-tetrazatricyclo[7.4.0.01,5]tridecane-10,12-dione
CID 177409698
5-hydroxy-4,4,5-trimethyl-1-(4-nitrophenyl)pyrrolidin-2-one
CID 23263783
1-(2-methylpropyl)-3-(4-nitrophenyl)imidazolidine-2,4-dione
CID 63064359
3,4-dimethyl-1-(4-nitrophenyl)pyrrole
CID 794697
1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 66605218
1-butan-2-yl-3-(4-nitrophenyl)imidazolidine-2,4-dione
CID 60837138
5-imino-1,3-bis(4-nitrophenyl)imidazolidine-2,4-dione
CID 163725711
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
ethane;2,2,5,5,6,6-hexahydroxy-4-(4-nitrophenyl)morpholin-3-one
CID 143764296

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one?
The IUPAC name of 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one (CID 10067588) is 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one is C=C1N(c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1(C)C.
What is the InChIKey of 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one?
The InChIKey is GVQKKSABRWBINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-12-18(2,3)20(14-6-10-16(11-7-14)22(26)27)17(23)19(12)13-4-8-15(9-5-13)21(24)25/h4-11H,1H2,2-3H3.
What are the key properties of 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one?
4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one has a molecular weight of 368.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-methylidene-1,3-bis(4-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 10067588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).