2-(2,3-dichlorophenyl)-1-methylimidazole

C10H8Cl2N2 — CID 110540593

IUPAC2-(2,3-dichlorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2/c1-14-6-5-13-10(14)7-3-2-4-8(11)9(7)12/h2-6H,1H3
InChIKeyDYNZFRWVWFTDID-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.39
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-1-methylimidazole

2-(2,3-dichlorophenyl)-1-methylimidazole (PubChem CID 110540593) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-methylimidazole
PubChem CID110540593
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name2-(2,3-dichlorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8Cl2N2/c1-14-6-5-13-10(14)7-3-2-4-8(11)9(7)12/h2-6H,1H3
InChIKeyDYNZFRWVWFTDID-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-methylimidazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-methylimidazole (CID 110540593) is 2-(2,3-dichlorophenyl)-1-methylimidazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-methylimidazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-methylimidazole is Cn1ccnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-methylimidazole?
The InChIKey is DYNZFRWVWFTDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c1-14-6-5-13-10(14)7-3-2-4-8(11)9(7)12/h2-6H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-methylimidazole?
2-(2,3-dichlorophenyl)-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-(2,3-dichlorophenyl)-1-methylimidazole is sourced from PubChem (CID 110540593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).