2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole

C20H22N2 — CID 84571434

IUPAC2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H22N2/c1-5-14-22-18-9-7-6-8-17(18)21-19(22)15-10-12-16(13-11-15)20(2,3)4/h5-13H,1,14H2,2-4H3
InChIKeyGCCWSGHQZGCCSW-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.19
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole

2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole (PubChem CID 84571434) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
PubChem CID84571434
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C20H22N2/c1-5-14-22-18-9-7-6-8-17(18)21-19(22)15-10-12-16(13-11-15)20(2,3)4/h5-13H,1,14H2,2-4H3
InChIKeyGCCWSGHQZGCCSW-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enyl-2-(4-tert-butylphenyl)benzimidazole
CID 84571658
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
CID 169224537
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate
CID 146365673
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502
2-[[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl]benzonitrile
CID 84571433
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
2-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
ethyl 3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propanoate
CID 84571450
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole (CID 84571434) is 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole is C=CCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole?
The InChIKey is GCCWSGHQZGCCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-5-14-22-18-9-7-6-8-17(18)21-19(22)15-10-12-16(13-11-15)20(2,3)4/h5-13H,1,14H2,2-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole?
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole has a molecular weight of 290.41 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 84571434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).