1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

C19H19N3O2 — CID 4697740

IUPAC1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccc(C)cc4[nH]3)CC2=O)c1
InChIInChI=1S/C19H19N3O2/c1-12-6-7-16-17(8-12)21-19(20-16)13-9-18(23)22(11-13)14-4-3-5-15(10-14)24-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,21)
InChIKeyUZCWFEGYCDVIRL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4697740) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4697740
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccc(C)cc4[nH]3)CC2=O)c1
InChIInChI=1S/C19H19N3O2/c1-12-6-7-16-17(8-12)21-19(20-16)13-9-18(23)22(11-13)14-4-3-5-15(10-14)24-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,21)
InChIKeyUZCWFEGYCDVIRL-UHFFFAOYSA-N
XLogP3.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566
(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080677
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 163330053
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 7011052
(4S)-1-(3-methoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011032
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 2952741

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (CID 4697740) is 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is COc1cccc(N2CC(c3nc4ccc(C)cc4[nH]3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is UZCWFEGYCDVIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-6-7-16-17(8-12)21-19(20-16)13-9-18(23)22(11-13)14-4-3-5-15(10-14)24-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4697740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).