5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole

C17H14Cl2N2O — CID 139695517

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
SMILESClc1ccc(Cc2cnc(COc3ccccc3)[nH]2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-15-7-6-12(9-16(15)19)8-13-10-20-17(21-13)11-22-14-4-2-1-3-5-14/h1-7,9-10H,8,11H2,(H,20,21)
InChIKeyPPZVSVVBYDHZNS-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.89
Rot. Bonds5

About 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole

5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole (PubChem CID 139695517) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
PubChem CID139695517
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
SMILESClc1ccc(Cc2cnc(COc3ccccc3)[nH]2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O/c18-15-7-6-12(9-16(15)19)8-13-10-20-17(21-13)11-22-14-4-2-1-3-5-14/h1-7,9-10H,8,11H2,(H,20,21)
InChIKeyPPZVSVVBYDHZNS-UHFFFAOYSA-N
XLogP4.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole
CID 139695560
5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
CID 139695523
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 95474815
5-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 71185914
5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
CID 103977363
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526473
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
4-[[4-(2-bromoethyl)phenoxy]methyl]-1,2-dichlorobenzene
CID 174759962
3-(1H-benzimidazol-2-yl)-N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529031
2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
CID 11487705

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole (CID 139695517) is 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole is Clc1ccc(Cc2cnc(COc3ccccc3)[nH]2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
The InChIKey is PPZVSVVBYDHZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-15-7-6-12(9-16(15)19)8-13-10-20-17(21-13)11-22-14-4-2-1-3-5-14/h1-7,9-10H,8,11H2,(H,20,21).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole has a molecular weight of 333.22 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole is sourced from PubChem (CID 139695517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).