(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one

C14H15ClN2O2 — CID 135496305

IUPAC(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one
SMILESCCC(=O)/C(C1=NCCN1)=C(/O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-11(18)12(14-16-7-8-17-14)13(19)9-3-5-10(15)6-4-9/h3-6,19H,2,7-8H2,1H3,(H,16,17)/b13-12-
InChIKeyDFPHOEVZCDWKEB-SEYXRHQNSA-N
MW278.74 g/mol
LogP2.59
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one

(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one (PubChem CID 135496305) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one
PubChem CID135496305
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one
SMILESCCC(=O)/C(C1=NCCN1)=C(/O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-11(18)12(14-16-7-8-17-14)13(19)9-3-5-10(15)6-4-9/h3-6,19H,2,7-8H2,1H3,(H,16,17)/b13-12-
InChIKeyDFPHOEVZCDWKEB-SEYXRHQNSA-N
XLogP2.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxy-4-(4-methylphenyl)but-3-en-2-one
CID 135506661
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 51980487
(Z)-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxypent-3-en-2-one
CID 135471303
(Z)-2-(4,5-dihydro-1H-imidazol-2-yl)-N,N-diethyl-3-hydroxybut-2-enamide
CID 137034909
4,5-dihydro-1H-imidazole-2-carboxamide
CID 1382042
1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanethione;hydrobromide
CID 138399262
(3Z)-3-[(4-chlorophenyl)-hydroxymethylidene]-1,1,1-trifluoropentan-2-one
CID 10802587
1-(4-chlorophenyl)-2-(methylamino)pent-1-en-1-ol
CID 154220297
1-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]phenyl]propan-1-one
CID 18470010
(2E)-1-(4-chlorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
CID 10900643
(E)-2-(carboxymethoxy)-3-(4-chlorophenyl)pent-2-enoic acid
CID 23242044
(E)-3-(4-chlorophenyl)hept-2-enoic acid
CID 82049214

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one (CID 135496305) is (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one is CCC(=O)/C(C1=NCCN1)=C(/O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one?
The InChIKey is DFPHOEVZCDWKEB-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-11(18)12(14-16-7-8-17-14)13(19)9-3-5-10(15)6-4-9/h3-6,19H,2,7-8H2,1H3,(H,16,17)/b13-12-.
What are the key properties of (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one?
(E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one has a molecular weight of 278.74 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-hydroxypent-1-en-3-one is sourced from PubChem (CID 135496305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).