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

C32H32N2O — CID 16987415

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESCC(C)(C)c1ccc(OCCn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C32H32N2O/c1-32(2,3)27-17-19-28(20-18-27)35-22-21-34-30-12-8-7-11-29(30)33-31(34)23-24-13-15-26(16-14-24)25-9-5-4-6-10-25/h4-20H,21-23H2,1-3H3
InChIKeySDDJSCYCBIOJNM-UHFFFAOYSA-N
MW460.62 g/mol
LogP7.67
Rot. Bonds7

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

1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole (PubChem CID 16987415) has the molecular formula C32H32N2O and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
PubChem CID16987415
Molecular FormulaC32H32N2O
Molecular Weight460.62 g/mol
Exact Mass460.25
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESCC(C)(C)c1ccc(OCCn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C32H32N2O/c1-32(2,3)27-17-19-28(20-18-27)35-22-21-34-30-12-8-7-11-29(30)33-31(34)23-24-13-15-26(16-14-24)25-9-5-4-6-10-25/h4-20H,21-23H2,1-3H3
InChIKeySDDJSCYCBIOJNM-UHFFFAOYSA-N
XLogP7.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971461
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979947
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985901
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
1-(3-naphthalen-2-yloxypropyl)-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987446
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
2-[(4-tert-butylphenoxy)methyl]-1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazole
CID 16998746
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
2-[(4-tert-butylphenoxy)methyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16998750
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
1-[2-(3,4-dimethylphenoxy)ethyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995937
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
CID 3160716

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole (CID 16987415) is 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole is CC(C)(C)c1ccc(OCCn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The InChIKey is SDDJSCYCBIOJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O/c1-32(2,3)27-17-19-28(20-18-27)35-22-21-34-30-12-8-7-11-29(30)33-31(34)23-24-13-15-26(16-14-24)25-9-5-4-6-10-25/h4-20H,21-23H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole has a molecular weight of 460.62 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-2-[(4-phenylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16987415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).