3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide

C22H17N3O2 — CID 141446060

IUPAC3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(-c2ccccc2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H17N3O2/c23-21(26)11-8-16-12-15(14-4-2-1-3-5-14)6-9-18(16)17-7-10-19-20(13-17)25-22(27)24-19/h1-13H,(H2,23,26)(H2,24,25,27)
InChIKeyZZVAPOLHFRIKKB-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.69
Rot. Bonds4

About 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide

3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide (PubChem CID 141446060) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide.

Molecular Properties

Compound Name3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide
PubChem CID141446060
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide
SMILESNC(=O)C=Cc1cc(-c2ccccc2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H17N3O2/c23-21(26)11-8-16-12-15(14-4-2-1-3-5-14)6-9-18(16)17-7-10-19-20(13-17)25-22(27)24-19/h1-13H,(H2,23,26)(H2,24,25,27)
InChIKeyZZVAPOLHFRIKKB-UHFFFAOYSA-N
XLogP3.69
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide?
The IUPAC name of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide (CID 141446060) is 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide.
What is the SMILES notation for 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide?
The canonical SMILES for 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide is NC(=O)C=Cc1cc(-c2ccccc2)ccc1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide?
The InChIKey is ZZVAPOLHFRIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-21(26)11-8-16-12-15(14-4-2-1-3-5-14)6-9-18(16)17-7-10-19-20(13-17)25-22(27)24-19/h1-13H,(H2,23,26)(H2,24,25,27).
What are the key properties of 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide?
3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide has a molecular weight of 355.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-phenylphenyl]prop-2-enamide is sourced from PubChem (CID 141446060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).