2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole

C18H18N2O — CID 661309

IUPAC2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(2)12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-3)11-9-14/h4-11H,1,12H2,2-3H3
InChIKeyLGDGDFSCRBKMNA-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole

2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole (PubChem CID 661309) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
PubChem CID661309
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(2)12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-3)11-9-14/h4-11H,1,12H2,2-3H3
InChIKeyLGDGDFSCRBKMNA-UHFFFAOYSA-N
XLogP4.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole (CID 661309) is 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole is C=C(C)Cn1c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The InChIKey is LGDGDFSCRBKMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-3)11-9-14/h4-11H,1,12H2,2-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole?
2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole is sourced from PubChem (CID 661309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).