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

C14H15Cl3N2O — CID 70569120

IUPAC2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
SMILESC=CCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H14Cl2N2O.ClH/c1-2-5-14(19,9-18-7-6-17-10-18)12-4-3-11(15)8-13(12)16;/h2-4,6-8,10,19H,1,5,9H2;1H
InChIKeyNGXOLJKACFETFI-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.08
Rot. Bonds5

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

2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride (PubChem CID 70569120) has the molecular formula C14H15Cl3N2O and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
PubChem CID70569120
Molecular FormulaC14H15Cl3N2O
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride
SMILESC=CCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C14H14Cl2N2O.ClH/c1-2-5-14(19,9-18-7-6-17-10-18)12-4-3-11(15)8-13(12)16;/h2-4,6-8,10,19H,1,5,9H2;1H
InChIKeyNGXOLJKACFETFI-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride (CID 70569120) is 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride is C=CCC(O)(Cn1ccnc1)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride?
The InChIKey is NGXOLJKACFETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O.ClH/c1-2-5-14(19,9-18-7-6-17-10-18)12-4-3-11(15)8-13(12)16;/h2-4,6-8,10,19H,1,5,9H2;1H.
What are the key properties of 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride?
2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride has a molecular weight of 333.65 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-imidazol-1-ylpent-4-en-2-ol;hydrochloride is sourced from PubChem (CID 70569120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).