2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole

C21H24N2 — CID 58674149

IUPAC2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole
SMILESC=C(C)CCn1c(-c2ccc(CC)cc2)nc2ccc(C)cc21
InChIInChI=1S/C21H24N2/c1-5-17-7-9-18(10-8-17)21-22-19-11-6-16(4)14-20(19)23(21)13-12-15(2)3/h6-11,14H,2,5,12-13H2,1,3-4H3
InChIKeyFJOMMKFSDWSVQL-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.54
Rot. Bonds5

About 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole

2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole (PubChem CID 58674149) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole
PubChem CID58674149
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole
SMILESC=C(C)CCn1c(-c2ccc(CC)cc2)nc2ccc(C)cc21
InChIInChI=1S/C21H24N2/c1-5-17-7-9-18(10-8-17)21-22-19-11-6-16(4)14-20(19)23(21)13-12-15(2)3/h6-11,14H,2,5,12-13H2,1,3-4H3
InChIKeyFJOMMKFSDWSVQL-UHFFFAOYSA-N
XLogP5.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole?
The IUPAC name of 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole (CID 58674149) is 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole.
What is the SMILES notation for 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole?
The canonical SMILES for 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole is C=C(C)CCn1c(-c2ccc(CC)cc2)nc2ccc(C)cc21.
What is the InChIKey of 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole?
The InChIKey is FJOMMKFSDWSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-5-17-7-9-18(10-8-17)21-22-19-11-6-16(4)14-20(19)23(21)13-12-15(2)3/h6-11,14H,2,5,12-13H2,1,3-4H3.
What are the key properties of 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole?
2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole has a molecular weight of 304.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-methyl-1-(3-methylbut-3-enyl)benzimidazole is sourced from PubChem (CID 58674149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).