1-[(3,4-dichlorophenyl)methyl]imidazole

C10H8Cl2N2 — CID 2985081

IUPAC1-[(3,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2ccnc2)cc1Cl
InChIInChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
InChIKeyAYZFQKPOALRPNQ-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.24
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]imidazole

1-[(3,4-dichlorophenyl)methyl]imidazole (PubChem CID 2985081) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]imidazole
PubChem CID2985081
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name1-[(3,4-dichlorophenyl)methyl]imidazole
SMILESClc1ccc(Cn2ccnc2)cc1Cl
InChIInChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
InChIKeyAYZFQKPOALRPNQ-UHFFFAOYSA-N
XLogP3.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]imidazole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]imidazole (CID 2985081) is 1-[(3,4-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]imidazole is Clc1ccc(Cn2ccnc2)cc1Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]imidazole?
The InChIKey is AYZFQKPOALRPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]imidazole?
1-[(3,4-dichlorophenyl)methyl]imidazole has a molecular weight of 227.09 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 2985081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).