2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole

C20H22N2 — CID 157188103

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
SMILESCc1ccc(/C=C/c2nc3ccccc3n2CC(C)C)cc1
InChIInChI=1S/C20H22N2/c1-15(2)14-22-19-7-5-4-6-18(19)21-20(22)13-12-17-10-8-16(3)9-11-17/h4-13,15H,14H2,1-3H3/b13-12+
InChIKeyPWLIVHLAWAOCQY-OUKQBFOZSA-N
MW290.41 g/mol
LogP5.17
Rot. Bonds4

About 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole

2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 157188103) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
PubChem CID157188103
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
SMILESCc1ccc(/C=C/c2nc3ccccc3n2CC(C)C)cc1
InChIInChI=1S/C20H22N2/c1-15(2)14-22-19-7-5-4-6-18(19)21-20(22)13-12-17-10-8-16(3)9-11-17/h4-13,15H,14H2,1-3H3/b13-12+
InChIKeyPWLIVHLAWAOCQY-OUKQBFOZSA-N
XLogP5.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazol-1-yl]acetonitrile
CID 82144945
2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CID 4631571
1-methyl-2-[2-(4-methylphenyl)ethenyl]benzimidazole
CID 54355497
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
1-butyl-2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazole;1-(3-methylbutyl)-2-[(E)-2-(4-methylphenyl)ethenyl]benzimidazole;2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole;2-[(E)-2-(4-methylphenyl)ethenyl]-1-propan-2-ylbenzimidazole;1-methyl-2-(2-phenylethynyl)benzimidazole;2-[(E)-2-phenylethenyl]-1-prop-2-enylbenzimidazole
CID 157188100
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole (CID 157188103) is 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole is Cc1ccc(/C=C/c2nc3ccccc3n2CC(C)C)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is PWLIVHLAWAOCQY-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H22N2/c1-15(2)14-22-19-7-5-4-6-18(19)21-20(22)13-12-17-10-8-16(3)9-11-17/h4-13,15H,14H2,1-3H3/b13-12+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 290.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 157188103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).