(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one

C24H20N2O — CID 43826344

IUPAC(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one
SMILESCC(c1ccccc1)n1c(/C=C/C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H20N2O/c1-18(19-10-4-2-5-11-19)26-22-15-9-8-14-21(22)25-24(26)17-16-23(27)20-12-6-3-7-13-20/h2-18H,1H3/b17-16+
InChIKeyZNLDPUPSKWPNDO-WUKNDPDISA-N
MW352.44 g/mol
LogP5.54
Rot. Bonds5

About (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one

(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one (PubChem CID 43826344) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one
PubChem CID43826344
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one
SMILESCC(c1ccccc1)n1c(/C=C/C(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H20N2O/c1-18(19-10-4-2-5-11-19)26-22-15-9-8-14-21(22)25-24(26)17-16-23(27)20-12-6-3-7-13-20/h2-18H,1H3/b17-16+
InChIKeyZNLDPUPSKWPNDO-WUKNDPDISA-N
XLogP5.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one (CID 43826344) is (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one is CC(c1ccccc1)n1c(/C=C/C(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one?
The InChIKey is ZNLDPUPSKWPNDO-WUKNDPDISA-N. The full InChI is InChI=1S/C24H20N2O/c1-18(19-10-4-2-5-11-19)26-22-15-9-8-14-21(22)25-24(26)17-16-23(27)20-12-6-3-7-13-20/h2-18H,1H3/b17-16+.
What are the key properties of (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one?
(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one has a molecular weight of 352.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one is sourced from PubChem (CID 43826344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).