1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole

C27H30N2O3 — CID 16997494

IUPAC1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
SMILESCCC(C)c1ccc(OCCn2c(COc3ccccc3OC)nc3ccccc32)cc1
InChIInChI=1S/C27H30N2O3/c1-4-20(2)21-13-15-22(16-14-21)31-18-17-29-24-10-6-5-9-23(24)28-27(29)19-32-26-12-8-7-11-25(26)30-3/h5-16,20H,4,17-19H2,1-3H3
InChIKeyZLZRZIUEZDIZRK-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.22
Rot. Bonds10

About 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole

1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole (PubChem CID 16997494) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
PubChem CID16997494
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole
SMILESCCC(C)c1ccc(OCCn2c(COc3ccccc3OC)nc3ccccc32)cc1
InChIInChI=1S/C27H30N2O3/c1-4-20(2)21-13-15-22(16-14-21)31-18-17-29-24-10-6-5-9-23(24)28-27(29)19-32-26-12-8-7-11-25(26)30-3/h5-16,20H,4,17-19H2,1-3H3
InChIKeyZLZRZIUEZDIZRK-UHFFFAOYSA-N
XLogP6.22
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997767
1-[4-(4-butan-2-ylphenoxy)butyl]-2-(methoxymethyl)benzimidazole
CID 16996938
2-[(2-methoxyphenoxy)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16997524
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 16983842
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006414
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
N-[[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008460
1-[(4-butan-2-ylphenyl)methyl]-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998333
2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16998750

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole (CID 16997494) is 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole is CCC(C)c1ccc(OCCn2c(COc3ccccc3OC)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole?
The InChIKey is ZLZRZIUEZDIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-4-20(2)21-13-15-22(16-14-21)31-18-17-29-24-10-6-5-9-23(24)28-27(29)19-32-26-12-8-7-11-25(26)30-3/h5-16,20H,4,17-19H2,1-3H3.
What are the key properties of 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole?
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole has a molecular weight of 430.55 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(2-methoxyphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).