(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde

C13H14N2O2 — CID 10878957

IUPAC(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde
SMILESCc1ccc(C(=O)/C=C2\NCCN2C=O)cc1
InChIInChI=1S/C13H14N2O2/c1-10-2-4-11(5-3-10)12(17)8-13-14-6-7-15(13)9-16/h2-5,8-9,14H,6-7H2,1H3/b13-8+
InChIKeyQWEBVLSUVGJYOV-MDWZMJQESA-N
MW230.27 g/mol
LogP1.08
Rot. Bonds3

About (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde

(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde (PubChem CID 10878957) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde.

Molecular Properties

Compound Name(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde
PubChem CID10878957
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde
SMILESCc1ccc(C(=O)/C=C2\NCCN2C=O)cc1
InChIInChI=1S/C13H14N2O2/c1-10-2-4-11(5-3-10)12(17)8-13-14-6-7-15(13)9-16/h2-5,8-9,14H,6-7H2,1H3/b13-8+
InChIKeyQWEBVLSUVGJYOV-MDWZMJQESA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethanone, 2-(2-imidazolidinylidene)-1-phenyl-
CID 821546
1-(4-Fluoro-phenyl)-2-imidazolidin-2-ylidene-ethanone
CID 11217994
(2Z)-1-phenyl-2-[(2-sulfanylideneimidazolidin-1-yl)methylidene]butane-1,3-dione
CID 44565564
8-benzoyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10331855
N-(3-oxo-3-phenylpropyl)imidazolidin-2-one
CID 11183562
8-benzoyl-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
CID 13696695
7-(4-Methyl-benzoyl)-1,2,3,6-tetrahydro-pyrrolo[1,2-a]imidazol-5-one
CID 14265739
tert-butyl (2E)-2-phenacylideneimidazolidine-1-carboxylate
CID 21608204
Ethanone, 2-(2-imidazolidinylidene)-1-(4-methylphenyl)-
CID 10655727
(Z)-3-(2-aminoethylamino)-3-(tert-butylamino)-1-(4-methylphenyl)prop-2-en-1-one
CID 70544925
7-(Trifluoromethyl)-8-benzoyl-1,2-dihydroimidazo[1,2-a]pyridine-5(3H)-one
CID 44251930
8-(4-methylbenzoyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251932

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde?
The IUPAC name of (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde (CID 10878957) is (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde.
What is the SMILES notation for (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde?
The canonical SMILES for (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde is Cc1ccc(C(=O)/C=C2\NCCN2C=O)cc1.
What is the InChIKey of (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde?
The InChIKey is QWEBVLSUVGJYOV-MDWZMJQESA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-2-4-11(5-3-10)12(17)8-13-14-6-7-15(13)9-16/h2-5,8-9,14H,6-7H2,1H3/b13-8+.
What are the key properties of (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde?
(2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(4-methylphenyl)-2-oxoethylidene]imidazolidine-1-carbaldehyde is sourced from PubChem (CID 10878957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).