2-(4-methylphenyl)-1-prop-2-enylbenzimidazole

C17H16N2 — CID 974593

IUPAC2-(4-methylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H16N2/c1-3-12-19-16-7-5-4-6-15(16)18-17(19)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3
InChIKeyCKBNTAMQUSYEBC-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole

2-(4-methylphenyl)-1-prop-2-enylbenzimidazole (PubChem CID 974593) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-prop-2-enylbenzimidazole
PubChem CID974593
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-(4-methylphenyl)-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C17H16N2/c1-3-12-19-16-7-5-4-6-15(16)18-17(19)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3
InChIKeyCKBNTAMQUSYEBC-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole (CID 974593) is 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole is C=CCn1c(-c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole?
The InChIKey is CKBNTAMQUSYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-3-12-19-16-7-5-4-6-15(16)18-17(19)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3.
What are the key properties of 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole?
2-(4-methylphenyl)-1-prop-2-enylbenzimidazole has a molecular weight of 248.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 974593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).