5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one

C12H11ClN2O — CID 91514814

IUPAC5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]c(=Cc2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C12H11ClN2O/c1-8-14-11(12(16)15(8)2)7-9-3-5-10(13)6-4-9/h3-7,14H,1H2,2H3
InChIKeyDNAGNJDHQBVGJI-UHFFFAOYSA-N
MW234.69 g/mol
LogP0.61
Rot. Bonds1

About 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one

5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one (PubChem CID 91514814) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
PubChem CID91514814
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
SMILESC=c1[nH]c(=Cc2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C12H11ClN2O/c1-8-14-11(12(16)15(8)2)7-9-3-5-10(13)6-4-9/h3-7,14H,1H2,2H3
InChIKeyDNAGNJDHQBVGJI-UHFFFAOYSA-N
XLogP0.61
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 91203931
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90759632
4-[(Z)-(1-methyl-2-methylidene-5-oxoimidazolidin-4-ylidene)methyl]benzonitrile
CID 91470172
3,6-bis[(4-chlorophenyl)methylidene]piperazine-2,5-dione
CID 3830190
(3Z,6Z)-3-[(4-chlorophenyl)methylidene]-6-ethylidenepiperazine-2,5-dione
CID 98537622
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90965007
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373
(2Z,5E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831553
(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 67790143
(2E)-2-[(4-chlorophenyl)methylidene]-1-methylindol-3-one
CID 12825920
(5Z)-5-[[4-(diethylamino)-2-difluoroboranylphenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 123523108
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]-1-methylpiperidin-4-one;hydrochloride
CID 5468195

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one (CID 91514814) is 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one is C=c1[nH]c(=Cc2ccc(Cl)cc2)c(=O)n1C.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
The InChIKey is DNAGNJDHQBVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-14-11(12(16)15(8)2)7-9-3-5-10(13)6-4-9/h3-7,14H,1H2,2H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one?
5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one has a molecular weight of 234.69 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one is sourced from PubChem (CID 91514814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).