2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol

C14H14Cl2N2O — CID 12771344

IUPAC2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
SMILESC=CCC(O)(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-2-5-14(19,9-18-7-6-17-10-18)11-3-4-12(15)13(16)8-11/h2-4,6-8,10,19H,1,5,9H2
InChIKeyFHWDRGRBMZSPIM-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.65
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol

2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol (PubChem CID 12771344) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
PubChem CID12771344
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol
SMILESC=CCC(O)(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-2-5-14(19,9-18-7-6-17-10-18)11-3-4-12(15)13(16)8-11/h2-4,6-8,10,19H,1,5,9H2
InChIKeyFHWDRGRBMZSPIM-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
Bis-(4-chloro-phenyl)-(1H-imidazol-2-yl)-methanol
CID 12433870
(5-chloro-1-methyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 3795291
4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride
CID 20282236
1-Cyclohexyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 44523522
1-[(3,4-dichlorobenzyl)oxy]-1H-imidazole
CID 1475033
alpha-(4-Chlorophenyl)-1H-imidazole-1-ethanol
CID 91130
1-(Butylsulfanyl)-2-(2,4-dichlorophenyl)-3-(1H-imidazol-1-yl)propan-2-ol
CID 3010599
1H-Imidazole-1-ethanol, alpha-(4-chloro-2,3,5,6-tetramethylphenyl)-
CID 206017
1,1,2-tris(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethanol
CID 4197336
5-[(4-Chlorophenyl)methylidene]-1-(imidazol-1-ylmethyl)-2,2-dimethylcyclohexan-1-ol
CID 44522284
2-(2-Aminoimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
CID 90644775

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol (CID 12771344) is 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol is C=CCC(O)(Cn1ccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
The InChIKey is FHWDRGRBMZSPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-2-5-14(19,9-18-7-6-17-10-18)11-3-4-12(15)13(16)8-11/h2-4,6-8,10,19H,1,5,9H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol?
2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol has a molecular weight of 297.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol is sourced from PubChem (CID 12771344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).