1-(2-methylprop-2-enyl)-2-phenylbenzimidazole

C17H16N2 — CID 881644

IUPAC1-(2-methylprop-2-enyl)-2-phenylbenzimidazole
SMILESC=C(C)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2/c1-13(2)12-19-16-11-7-6-10-15(16)18-17(19)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKeyJGDKHNHZZKSRBJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole

1-(2-methylprop-2-enyl)-2-phenylbenzimidazole (PubChem CID 881644) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-phenylbenzimidazole
PubChem CID881644
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-(2-methylprop-2-enyl)-2-phenylbenzimidazole
SMILESC=C(C)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2/c1-13(2)12-19-16-11-7-6-10-15(16)18-17(19)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3
InChIKeyJGDKHNHZZKSRBJ-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.28
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 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole (CID 881644) is 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole is C=C(C)Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole?
The InChIKey is JGDKHNHZZKSRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13(2)12-19-16-11-7-6-10-15(16)18-17(19)14-8-4-3-5-9-14/h3-11H,1,12H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole?
1-(2-methylprop-2-enyl)-2-phenylbenzimidazole has a molecular weight of 248.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-phenylbenzimidazole is sourced from PubChem (CID 881644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).