2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole

C26H28N2O3 — CID 17001430

IUPAC2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCOc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C26H28N2O3/c1-18(2)19-9-12-21(13-10-19)31-16-15-28-23-8-6-5-7-22(23)27-26(28)20-11-14-24(29-3)25(17-20)30-4/h5-14,17-18H,15-16H2,1-4H3
InChIKeyNKWIRZLKTLOJBT-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.92
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole

2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 17001430) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID17001430
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2CCOc2ccc(C(C)C)cc2)cc1OC
InChIInChI=1S/C26H28N2O3/c1-18(2)19-9-12-21(13-10-19)31-16-15-28-23-8-6-5-7-22(23)27-26(28)20-11-14-24(29-3)25(17-20)30-4/h5-14,17-18H,15-16H2,1-4H3
InChIKeyNKWIRZLKTLOJBT-UHFFFAOYSA-N
XLogP5.92
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001455
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-(3,4-dimethoxyphenyl)benzimidazole
CID 17001450
2-(4-methoxyphenyl)-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879179
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
2-(3,4-dimethoxyphenyl)-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 17001460
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole (CID 17001430) is 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole is COc1ccc(-c2nc3ccccc3n2CCOc2ccc(C(C)C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is NKWIRZLKTLOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(2)19-9-12-21(13-10-19)31-16-15-28-23-8-6-5-7-22(23)27-26(28)20-11-14-24(29-3)25(17-20)30-4/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 416.52 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).