1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole

C15H16Cl2N2 — CID 70462372

IUPAC1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
SMILESCC(C)(C)/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-15(2,3)13(9-19-7-6-18-10-19)12-5-4-11(16)8-14(12)17/h4-10H,1-3H3/b13-9-
InChIKeyXVOUDXPYYMCFSD-LCYFTJDESA-N
MW295.21 g/mol
LogP5.23
Rot. Bonds2

About 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole

1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole (PubChem CID 70462372) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
PubChem CID70462372
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
SMILESCC(C)(C)/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-15(2,3)13(9-19-7-6-18-10-19)12-5-4-11(16)8-14(12)17/h4-10H,1-3H3/b13-9-
InChIKeyXVOUDXPYYMCFSD-LCYFTJDESA-N
XLogP5.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
The IUPAC name of 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole (CID 70462372) is 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole.
What is the SMILES notation for 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
The canonical SMILES for 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole is CC(C)(C)/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
The InChIKey is XVOUDXPYYMCFSD-LCYFTJDESA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-15(2,3)13(9-19-7-6-18-10-19)12-5-4-11(16)8-14(12)17/h4-10H,1-3H3/b13-9-.
What are the key properties of 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole?
1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole has a molecular weight of 295.21 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole is sourced from PubChem (CID 70462372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).