2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole

C29H34N2O2 — CID 16998750

IUPAC2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCC(C)c1ccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C29H34N2O2/c1-21(2)22-10-14-24(15-11-22)32-19-18-31-27-9-7-6-8-26(27)30-28(31)20-33-25-16-12-23(13-17-25)29(3,4)5/h6-17,21H,18-20H2,1-5H3
InChIKeyZHPAAPCGEODPSM-UHFFFAOYSA-N
MW442.60 g/mol
LogP7.12
Rot. Bonds8

About 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole

2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole (PubChem CID 16998750) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
PubChem CID16998750
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
SMILESCC(C)c1ccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C29H34N2O2/c1-21(2)22-10-14-24(15-11-22)32-19-18-31-27-9-7-6-8-26(27)30-28(31)20-33-25-16-12-23(13-17-25)29(3,4)5/h6-17,21H,18-20H2,1-5H3
InChIKeyZHPAAPCGEODPSM-UHFFFAOYSA-N
XLogP7.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butylphenoxy)methyl]-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16998746
2-ethyl-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16996424
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-[2-(4-butan-2-ylphenoxy)ethyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998217
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-[2-(4-propan-2-ylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000289
1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987415
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole (CID 16998750) is 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole is CC(C)c1ccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
The InChIKey is ZHPAAPCGEODPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-21(2)22-10-14-24(15-11-22)32-19-18-31-27-9-7-6-8-26(27)30-28(31)20-33-25-16-12-23(13-17-25)29(3,4)5/h6-17,21H,18-20H2,1-5H3.
What are the key properties of 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole?
2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole has a molecular weight of 442.60 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16998750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).