2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C24H23ClN2O — CID 16997069

IUPAC2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H23ClN2O/c1-16-12-17(2)21(18(3)13-16)14-27-23-7-5-4-6-22(23)26-24(27)15-28-20-10-8-19(25)9-11-20/h4-13H,14-15H2,1-3H3
InChIKeyZNTVDSJNBWYDNQ-UHFFFAOYSA-N
MW390.91 g/mol
LogP6.24
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 16997069) has the molecular formula C24H23ClN2O and a molecular weight of 390.91 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID16997069
Molecular FormulaC24H23ClN2O
Molecular Weight390.91 g/mol
Exact Mass390.15
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C24H23ClN2O/c1-16-12-17(2)21(18(3)13-16)14-27-23-7-5-4-6-22(23)26-24(27)15-28-20-10-8-19(25)9-11-20/h4-13H,14-15H2,1-3H3
InChIKeyZNTVDSJNBWYDNQ-UHFFFAOYSA-N
XLogP6.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.91
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817
2-[(4-methylphenoxy)methyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 16998189
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
CID 3789114
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 16997069) is 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is Cc1cc(C)c(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is ZNTVDSJNBWYDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O/c1-16-12-17(2)21(18(3)13-16)14-27-23-7-5-4-6-22(23)26-24(27)15-28-20-10-8-19(25)9-11-20/h4-13H,14-15H2,1-3H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 390.91 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16997069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).