1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole

C25H25ClN2 — CID 58673237

IUPAC1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole
SMILESCC(C)(C)c1cccc(CCn2c(-c3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C25H25ClN2/c1-25(2,3)20-8-6-7-18(17-20)15-16-28-23-10-5-4-9-22(23)27-24(28)19-11-13-21(26)14-12-19/h4-14,17H,15-16H2,1-3H3
InChIKeyWLJXZIDBOVYRMK-UHFFFAOYSA-N
MW388.94 g/mol
LogP6.90
Rot. Bonds4

About 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole

1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole (PubChem CID 58673237) has the molecular formula C25H25ClN2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole
PubChem CID58673237
Molecular FormulaC25H25ClN2
Molecular Weight388.94 g/mol
Exact Mass388.17
IUPAC Name1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole
SMILESCC(C)(C)c1cccc(CCn2c(-c3ccc(Cl)cc3)nc3ccccc32)c1
InChIInChI=1S/C25H25ClN2/c1-25(2,3)20-8-6-7-18(17-20)15-16-28-23-10-5-4-9-22(23)27-24(28)19-11-13-21(26)14-12-19/h4-14,17H,15-16H2,1-3H3
InChIKeyWLJXZIDBOVYRMK-UHFFFAOYSA-N
XLogP6.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
2-(4-tert-butylphenyl)-1-[3-(4-chlorophenoxy)propyl]benzimidazole
CID 84571493
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565
2-(4-chlorophenyl)-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 17001033
1-but-3-enyl-2-(4-tert-butylphenyl)benzimidazole
CID 84571658
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole?
The IUPAC name of 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole (CID 58673237) is 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole.
What is the SMILES notation for 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole?
The canonical SMILES for 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole is CC(C)(C)c1cccc(CCn2c(-c3ccc(Cl)cc3)nc3ccccc32)c1.
What is the InChIKey of 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole?
The InChIKey is WLJXZIDBOVYRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2/c1-25(2,3)20-8-6-7-18(17-20)15-16-28-23-10-5-4-9-22(23)27-24(28)19-11-13-21(26)14-12-19/h4-14,17H,15-16H2,1-3H3.
What are the key properties of 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole?
1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole has a molecular weight of 388.94 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylphenyl)ethyl]-2-(4-chlorophenyl)benzimidazole is sourced from PubChem (CID 58673237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).