2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole

C25H26N2O2 — CID 16987564

IUPAC2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
SMILESCCOc1ccccc1OCCn1c(-c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C25H26N2O2/c1-4-28-23-11-7-8-12-24(23)29-16-15-27-22-10-6-5-9-21(22)26-25(27)20-14-13-18(2)17-19(20)3/h5-14,17H,4,15-16H2,1-3H3
InChIKeyIXTJPXGWOGXGCM-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.80
Rot. Bonds7

About 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole

2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole (PubChem CID 16987564) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
PubChem CID16987564
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
SMILESCCOc1ccccc1OCCn1c(-c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C25H26N2O2/c1-4-28-23-11-7-8-12-24(23)29-16-15-27-22-10-6-5-9-21(22)26-25(27)20-14-13-18(2)17-19(20)3/h5-14,17H,4,15-16H2,1-3H3
InChIKeyIXTJPXGWOGXGCM-UHFFFAOYSA-N
XLogP5.80
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-(2,4-dimethylphenyl)-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16987566
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595
2-(2,4-dimethylphenyl)-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16987621
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976400
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879213
2-(2,4-dichlorophenyl)-1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16987724
1-[2-(2-ethoxyphenoxy)ethyl]-2-propan-2-ylbenzimidazole
CID 16996515

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole (CID 16987564) is 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole is CCOc1ccccc1OCCn1c(-c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
The InChIKey is IXTJPXGWOGXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-28-23-11-7-8-12-24(23)29-16-15-27-22-10-6-5-9-21(22)26-25(27)20-14-13-18(2)17-19(20)3/h5-14,17H,4,15-16H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole?
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16987564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).