2-[(2,6-dichlorophenyl)methyl]-1H-imidazole

C10H8Cl2N2 — CID 18954858

IUPAC2-[(2,6-dichlorophenyl)methyl]-1H-imidazole
SMILESClc1cccc(Cl)c1Cc1ncc[nH]1
InChIInChI=1S/C10H8Cl2N2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-5H,6H2,(H,13,14)
InChIKeyHBZHCGKSSDKJIJ-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.31
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole

2-[(2,6-dichlorophenyl)methyl]-1H-imidazole (PubChem CID 18954858) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-1H-imidazole
PubChem CID18954858
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-1H-imidazole
SMILESClc1cccc(Cl)c1Cc1ncc[nH]1
InChIInChI=1S/C10H8Cl2N2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-5H,6H2,(H,13,14)
InChIKeyHBZHCGKSSDKJIJ-UHFFFAOYSA-N
XLogP3.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole (CID 18954858) is 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole is Clc1cccc(Cl)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole?
The InChIKey is HBZHCGKSSDKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c11-8-2-1-3-9(12)7(8)6-10-13-4-5-14-10/h1-5H,6H2,(H,13,14).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole?
2-[(2,6-dichlorophenyl)methyl]-1H-imidazole has a molecular weight of 227.09 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 18954858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).