2-chloro-5-(3-chlorophenyl)-1-methylimidazole

C10H8Cl2N2 — CID 117259913

IUPAC2-chloro-5-(3-chlorophenyl)-1-methylimidazole
SMILESCn1c(-c2cccc(Cl)c2)cnc1Cl
InChIInChI=1S/C10H8Cl2N2/c1-14-9(6-13-10(14)12)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeySJKXOTXEKGATSX-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.39
Rot. Bonds1

About 2-chloro-5-(3-chlorophenyl)-1-methylimidazole

2-chloro-5-(3-chlorophenyl)-1-methylimidazole (PubChem CID 117259913) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 2-chloro-5-(3-chlorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-chloro-5-(3-chlorophenyl)-1-methylimidazole
PubChem CID117259913
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name2-chloro-5-(3-chlorophenyl)-1-methylimidazole
SMILESCn1c(-c2cccc(Cl)c2)cnc1Cl
InChIInChI=1S/C10H8Cl2N2/c1-14-9(6-13-10(14)12)7-3-2-4-8(11)5-7/h2-6H,1H3
InChIKeySJKXOTXEKGATSX-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chlorophenyl)-1-methylimidazole-2-carboxylic acid
CID 84699681
5-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3913785
5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
CID 45147023
6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075336
4-(3-chlorophenyl)-3-methyl-1,3-thiazole-2-thione
CID 134107103
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
5-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 3590512
3-(3-chlorophenyl)-5H-imidazo[1,2-b]pyridazin-6-one
CID 71154423
5-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 3356531
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
N-butyl-N'-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]butanediamide
CID 5187060
4-[[[5-(3-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]-2-methoxyphenol
CID 3566909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chlorophenyl)-1-methylimidazole?
The IUPAC name of 2-chloro-5-(3-chlorophenyl)-1-methylimidazole (CID 117259913) is 2-chloro-5-(3-chlorophenyl)-1-methylimidazole.
What is the SMILES notation for 2-chloro-5-(3-chlorophenyl)-1-methylimidazole?
The canonical SMILES for 2-chloro-5-(3-chlorophenyl)-1-methylimidazole is Cn1c(-c2cccc(Cl)c2)cnc1Cl.
What is the InChIKey of 2-chloro-5-(3-chlorophenyl)-1-methylimidazole?
The InChIKey is SJKXOTXEKGATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-14-9(6-13-10(14)12)7-3-2-4-8(11)5-7/h2-6H,1H3.
What are the key properties of 2-chloro-5-(3-chlorophenyl)-1-methylimidazole?
2-chloro-5-(3-chlorophenyl)-1-methylimidazole has a molecular weight of 227.09 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-chlorophenyl)-1-methylimidazole is sourced from PubChem (CID 117259913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).