3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline

C23H21N3 — CID 155815073

IUPAC3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline
SMILESC=CCc1c(N(C)c2ccccc2)cccc1-n1cnc2ccccc21
InChIInChI=1S/C23H21N3/c1-3-10-19-21(25(2)18-11-5-4-6-12-18)15-9-16-22(19)26-17-24-20-13-7-8-14-23(20)26/h3-9,11-17H,1,10H2,2H3
InChIKeyGUEWGSSCZGVXLD-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.52
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline

3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline (PubChem CID 155815073) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline
PubChem CID155815073
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline
SMILESC=CCc1c(N(C)c2ccccc2)cccc1-n1cnc2ccccc21
InChIInChI=1S/C23H21N3/c1-3-10-19-21(25(2)18-11-5-4-6-12-18)15-9-16-22(19)26-17-24-20-13-7-8-14-23(20)26/h3-9,11-17H,1,10H2,2H3
InChIKeyGUEWGSSCZGVXLD-UHFFFAOYSA-N
XLogP5.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.52
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 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline?
The IUPAC name of 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline (CID 155815073) is 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline is C=CCc1c(N(C)c2ccccc2)cccc1-n1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline?
The InChIKey is GUEWGSSCZGVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-3-10-19-21(25(2)18-11-5-4-6-12-18)15-9-16-22(19)26-17-24-20-13-7-8-14-23(20)26/h3-9,11-17H,1,10H2,2H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline?
3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline has a molecular weight of 339.44 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline is sourced from PubChem (CID 155815073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).