2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole

C18H18N2 — CID 17000597

IUPAC2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-13(2)12-20-17-11-7-6-10-16(17)19-18(20)15-9-5-4-8-14(15)3/h4-11H,1,12H2,2-3H3
InChIKeyIVCCPHVALAZZEE-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.59
Rot. Bonds3

About 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole

2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole (PubChem CID 17000597) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
PubChem CID17000597
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-13(2)12-20-17-11-7-6-10-16(17)19-18(20)15-9-5-4-8-14(15)3/h4-11H,1,12H2,2-3H3
InChIKeyIVCCPHVALAZZEE-UHFFFAOYSA-N
XLogP4.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.59
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-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole
CID 17000598
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 143449401
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
2-(2-methylphenyl)-N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973153
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The IUPAC name of 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole (CID 17000597) is 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole.
What is the SMILES notation for 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The canonical SMILES for 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole is C=C(C)Cn1c(-c2ccccc2C)nc2ccccc21.
What is the InChIKey of 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The InChIKey is IVCCPHVALAZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13(2)12-20-17-11-7-6-10-16(17)19-18(20)15-9-5-4-8-14(15)3/h4-11H,1,12H2,2-3H3.
What are the key properties of 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole has a molecular weight of 262.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole is sourced from PubChem (CID 17000597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).