2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole

C18H18N2 — CID 16987511

IUPAC2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-4-11-20-17-8-6-5-7-16(17)19-18(20)15-10-9-13(2)12-14(15)3/h4-10,12H,1,11H2,2-3H3
InChIKeyWCMRQZPMTSHRDW-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.51
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole

2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole (PubChem CID 16987511) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
PubChem CID16987511
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C18H18N2/c1-4-11-20-17-8-6-5-7-16(17)19-18(20)15-10-9-13(2)12-14(15)3/h4-10,12H,1,11H2,2-3H3
InChIKeyWCMRQZPMTSHRDW-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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

2-(2,4-dimethylphenyl)-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16987566
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16987650
2-(2,4-dimethylphenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 16987564
2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
CID 46310533
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
CID 169224537
2-(4-tert-butylphenyl)-1-prop-2-enylbenzimidazole
CID 84571434
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16987595

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole (CID 16987511) is 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole is C=CCn1c(-c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole?
The InChIKey is WCMRQZPMTSHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-4-11-20-17-8-6-5-7-16(17)19-18(20)15-10-9-13(2)12-14(15)3/h4-10,12H,1,11H2,2-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole?
2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole has a molecular weight of 262.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 16987511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).