(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one

C16H13N3O — CID 138503619

IUPAC(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
SMILESO=C1C[C@H](c2ccccc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H13N3O/c20-16-9-15(11-4-2-1-3-5-11)19(16)12-6-7-13-14(8-12)18-10-17-13/h1-8,10,15H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyQGZPXUVHMTXYLF-OAHLLOKOSA-N
MW263.30 g/mol
LogP3.04
Rot. Bonds2

About (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one

(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one (PubChem CID 138503619) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
PubChem CID138503619
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
SMILESO=C1C[C@H](c2ccccc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H13N3O/c20-16-9-15(11-4-2-1-3-5-11)19(16)12-6-7-13-14(8-12)18-10-17-13/h1-8,10,15H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyQGZPXUVHMTXYLF-OAHLLOKOSA-N
XLogP3.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one?
The IUPAC name of (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one (CID 138503619) is (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one.
What is the SMILES notation for (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one?
The canonical SMILES for (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one is O=C1C[C@H](c2ccccc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one?
The InChIKey is QGZPXUVHMTXYLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-9-15(11-4-2-1-3-5-11)19(16)12-6-7-13-14(8-12)18-10-17-13/h1-8,10,15H,9H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one?
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one is sourced from PubChem (CID 138503619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).