[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate

C20H22N2O2 — CID 146365673

IUPAC[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate
SMILESCC(=O)OCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-14(23)24-13-22-18-8-6-5-7-17(18)21-19(22)15-9-11-16(12-10-15)20(2,3)4/h5-12H,13H2,1-4H3
InChIKeyOQKQSPJHZLQERY-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.52
Rot. Bonds3

About [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate

[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate (PubChem CID 146365673) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate
PubChem CID146365673
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate
SMILESCC(=O)OCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-14(23)24-13-22-18-8-6-5-7-17(18)21-19(22)15-9-11-16(12-10-15)20(2,3)4/h5-12H,13H2,1-4H3
InChIKeyOQKQSPJHZLQERY-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propanoate
CID 84571450
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
1-but-3-enyl-2-(4-tert-butylphenyl)benzimidazole
CID 84571658
2-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 84571634
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502
1-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propan-1-one
CID 84571654
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate?
The IUPAC name of [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate (CID 146365673) is [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate.
What is the SMILES notation for [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate?
The canonical SMILES for [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate is CC(=O)OCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21.
What is the InChIKey of [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate?
The InChIKey is OQKQSPJHZLQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(23)24-13-22-18-8-6-5-7-17(18)21-19(22)15-9-11-16(12-10-15)20(2,3)4/h5-12H,13H2,1-4H3.
What are the key properties of [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate?
[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate has a molecular weight of 322.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate is sourced from PubChem (CID 146365673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).