1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole

C12H10Cl2N2O — CID 2783908

IUPAC1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
SMILESClc1ccc(C2(Cn3ccnc3)CO2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-1-2-10(11(14)5-9)12(7-17-12)6-16-4-3-15-8-16/h1-5,8H,6-7H2
InChIKeyZAVMDRXJGWFIHI-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.12
Rot. Bonds3

About 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole

1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole (PubChem CID 2783908) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
PubChem CID2783908
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
SMILESClc1ccc(C2(Cn3ccnc3)CO2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-1-2-10(11(14)5-9)12(7-17-12)6-16-4-3-15-8-16/h1-5,8H,6-7H2
InChIKeyZAVMDRXJGWFIHI-UHFFFAOYSA-N
XLogP3.12
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
CID 22285361
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794641
2-[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 13368471
1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
CID 19843308
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 54343351
[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol;oxalic acid
CID 123132413
1-[[4-[(3,5-dichlorophenoxy)methyl]-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 70590204
1-[[2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 13208069
1-[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanesulfonic acid
CID 88659366
1-[[2-(2,4-dichlorophenyl)-4-(prop-2-enoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 21152259
1-[[(2S,4R)-2-(2,4-dichlorophenyl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole;nitric acid
CID 70588683

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole (CID 2783908) is 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole is Clc1ccc(C2(Cn3ccnc3)CO2)c(Cl)c1.
What is the InChIKey of 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole?
The InChIKey is ZAVMDRXJGWFIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-1-2-10(11(14)5-9)12(7-17-12)6-16-4-3-15-8-16/h1-5,8H,6-7H2.
What are the key properties of 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole?
1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole has a molecular weight of 269.13 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole is sourced from PubChem (CID 2783908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).