4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one

C17H14ClN3O — CID 3160036

IUPAC4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3[nH]2)CN1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-12-4-3-5-13(9-12)21-10-11(8-16(21)22)17-19-14-6-1-2-7-15(14)20-17/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeyKNAIOJRFSJJQER-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.74
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one

4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one (PubChem CID 3160036) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one
PubChem CID3160036
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3[nH]2)CN1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-12-4-3-5-13(9-12)21-10-11(8-16(21)22)17-19-14-6-1-2-7-15(14)20-17/h1-7,9,11H,8,10H2,(H,19,20)
InChIKeyKNAIOJRFSJJQER-UHFFFAOYSA-N
XLogP3.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.74
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-(3-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one (CID 3160036) is 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one is O=C1CC(c2nc3ccccc3[nH]2)CN1c1cccc(Cl)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one?
The InChIKey is KNAIOJRFSJJQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-12-4-3-5-13(9-12)21-10-11(8-16(21)22)17-19-14-6-1-2-7-15(14)20-17/h1-7,9,11H,8,10H2,(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one?
4-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)pyrrolidin-2-one has a molecular weight of 311.77 g/mol, XLogP of 3.74, 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-(3-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 3160036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).