1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole

C24H24N2O — CID 16996113

IUPAC1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C24H24N2O/c1-18-9-3-5-11-20(18)17-24-25-21-12-6-7-13-22(21)26(24)15-16-27-23-14-8-4-10-19(23)2/h3-14H,15-17H2,1-2H3
InChIKeyKKQODVNBJOYTOO-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.32
Rot. Bonds6

About 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole

1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 16996113) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
PubChem CID16996113
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C24H24N2O/c1-18-9-3-5-11-20(18)17-24-25-21-12-6-7-13-22(21)26(24)15-16-27-23-14-8-4-10-19(23)2/h3-14H,15-17H2,1-2H3
InChIKeyKKQODVNBJOYTOO-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115
1-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996191
2-[(2-methylphenyl)methyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996118
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
ethenyl-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]azanium
CID 7574612
2-[(4-ethylphenoxy)methyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 16998345
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
2-[(4-chlorophenyl)sulfanylmethyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18878269
2-[3-(azepan-1-yl)propyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18885649
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
CID 807389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole (CID 16996113) is 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole is Cc1ccccc1Cc1nc2ccccc2n1CCOc1ccccc1C.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is KKQODVNBJOYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-18-9-3-5-11-20(18)17-24-25-21-12-6-7-13-22(21)26(24)15-16-27-23-14-8-4-10-19(23)2/h3-14H,15-17H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole?
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 356.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16996113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).