(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide

C16H14N4O3 — CID 134385882

IUPAC(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide
SMILESNC(=O)C/C(=N\Oc1cccc2[nH]c(=O)[nH]c12)c1ccccc1
InChIInChI=1S/C16H14N4O3/c17-14(21)9-12(10-5-2-1-3-6-10)20-23-13-8-4-7-11-15(13)19-16(22)18-11/h1-8H,9H2,(H2,17,21)(H2,18,19,22)/b20-12+
InChIKeyHVYCOKFGBNPGEC-UDWIEESQSA-N
MW310.31 g/mol
LogP1.51
Rot. Bonds5

About (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide

(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide (PubChem CID 134385882) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide.

Molecular Properties

Compound Name(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide
PubChem CID134385882
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide
SMILESNC(=O)C/C(=N\Oc1cccc2[nH]c(=O)[nH]c12)c1ccccc1
InChIInChI=1S/C16H14N4O3/c17-14(21)9-12(10-5-2-1-3-6-10)20-23-13-8-4-7-11-15(13)19-16(22)18-11/h1-8H,9H2,(H2,17,21)(H2,18,19,22)/b20-12+
InChIKeyHVYCOKFGBNPGEC-UDWIEESQSA-N
XLogP1.51
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide?
The IUPAC name of (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide (CID 134385882) is (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide.
What is the SMILES notation for (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide?
The canonical SMILES for (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide is NC(=O)C/C(=N\Oc1cccc2[nH]c(=O)[nH]c12)c1ccccc1.
What is the InChIKey of (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide?
The InChIKey is HVYCOKFGBNPGEC-UDWIEESQSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-14(21)9-12(10-5-2-1-3-6-10)20-23-13-8-4-7-11-15(13)19-16(22)18-11/h1-8H,9H2,(H2,17,21)(H2,18,19,22)/b20-12+.
What are the key properties of (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide?
(3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide has a molecular weight of 310.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxyimino]-3-phenylpropanamide is sourced from PubChem (CID 134385882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).