5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one

C19H18FN3O — CID 51361502

IUPAC5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nc3ccccc3[nH]2)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-19(18-21-15-4-2-3-5-16(15)22-18)11-10-17(24)23(19)12-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,22)
InChIKeyIITGMNBSBGVAPV-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.74
Rot. Bonds3

About 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one

5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 51361502) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID51361502
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCC1(c2nc3ccccc3[nH]2)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-19(18-21-15-4-2-3-5-16(15)22-18)11-10-17(24)23(19)12-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,22)
InChIKeyIITGMNBSBGVAPV-UHFFFAOYSA-N
XLogP3.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one (CID 51361502) is 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one is CC1(c2nc3ccccc3[nH]2)CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is IITGMNBSBGVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-19(18-21-15-4-2-3-5-16(15)22-18)11-10-17(24)23(19)12-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,22).
What are the key properties of 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one?
5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 323.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 51361502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).