4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one

C17H15N3O — CID 2919881

IUPAC4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1
InChIInChI=1S/C17H15N3O/c21-16-10-12(11-20(16)13-6-2-1-3-7-13)17-18-14-8-4-5-9-15(14)19-17/h1-9,12H,10-11H2,(H,18,19)
InChIKeySAWYHQAUXNGBMX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.08
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one

4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one (PubChem CID 2919881) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one
PubChem CID2919881
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1
InChIInChI=1S/C17H15N3O/c21-16-10-12(11-20(16)13-6-2-1-3-7-13)17-18-14-8-4-5-9-15(14)19-17/h1-9,12H,10-11H2,(H,18,19)
InChIKeySAWYHQAUXNGBMX-UHFFFAOYSA-N
XLogP3.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one (CID 2919881) is 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one is O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one?
The InChIKey is SAWYHQAUXNGBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16-10-12(11-20(16)13-6-2-1-3-7-13)17-18-14-8-4-5-9-15(14)19-17/h1-9,12H,10-11H2,(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one?
4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 2919881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).