(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one

C16H12N4O2 — CID 136842921

IUPAC(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1NC(=Nc2nc3ccccc3[nH]2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H12N4O2/c21-14-13(10-6-2-1-3-7-10)22-16(19-14)20-15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,(H2,17,18,19,20,21)/t13-/m0/s1
InChIKeyOBCWFHMIWVTJST-ZDUSSCGKSA-N
MW292.30 g/mol
LogP2.44
Rot. Bonds2

About (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one

(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one (PubChem CID 136842921) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
PubChem CID136842921
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
SMILESO=C1NC(=Nc2nc3ccccc3[nH]2)O[C@H]1c1ccccc1
InChIInChI=1S/C16H12N4O2/c21-14-13(10-6-2-1-3-7-10)22-16(19-14)20-15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,(H2,17,18,19,20,21)/t13-/m0/s1
InChIKeyOBCWFHMIWVTJST-ZDUSSCGKSA-N
XLogP2.44
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-cyclopropylimino-5-phenyl-1,3-oxazolidin-4-one
CID 135564991
2-(1-adamantylimino)-5-phenyl-1,3-oxazolidin-4-one
CID 135989507
(5R)-5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
CID 135682612
(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
CID 71425586
3-(1H-benzimidazol-2-yliminomethyl)-5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 91546114
3-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-1H-quinoxalin-2-one
CID 2312767
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
CID 143765053
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
4-[bis(1H-benzimidazol-2-yl)amino]cyclohexan-1-one
CID 138676470
N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine
CID 137249906
CID 175276367
CID 175276367

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one?
The IUPAC name of (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one (CID 136842921) is (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one?
The canonical SMILES for (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one is O=C1NC(=Nc2nc3ccccc3[nH]2)O[C@H]1c1ccccc1.
What is the InChIKey of (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one?
The InChIKey is OBCWFHMIWVTJST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-14-13(10-6-2-1-3-7-10)22-16(19-14)20-15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,(H2,17,18,19,20,21)/t13-/m0/s1.
What are the key properties of (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one?
(5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one has a molecular weight of 292.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1H-benzimidazol-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 136842921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).