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

C19H19N3O2 — CID 4697742

IUPAC1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(c2nc3ccc(C)cc3[nH]2)CC1=O
InChIInChI=1S/C19H19N3O2/c1-12-7-8-14-15(9-12)21-19(20-14)13-10-18(23)22(11-13)16-5-3-4-6-17(16)24-2/h3-9,13H,10-11H2,1-2H3,(H,20,21)
InChIKeyFZUNXNHTWAMGOI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.40
Rot. Bonds3

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

1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4697742) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4697742
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(c2nc3ccc(C)cc3[nH]2)CC1=O
InChIInChI=1S/C19H19N3O2/c1-12-7-8-14-15(9-12)21-19(20-14)13-10-18(23)22(11-13)16-5-3-4-6-17(16)24-2/h3-9,13H,10-11H2,1-2H3,(H,20,21)
InChIKeyFZUNXNHTWAMGOI-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-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957330
2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957331
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566
(2-methoxyphenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 1430066
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
5-hydroxy-2-(2-methoxyphenyl)-6-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 108809323
(3R)-1-(2-methoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 25374869

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (CID 4697742) is 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is COc1ccccc1N1CC(c2nc3ccc(C)cc3[nH]2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is FZUNXNHTWAMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-7-8-14-15(9-12)21-19(20-14)13-10-18(23)22(11-13)16-5-3-4-6-17(16)24-2/h3-9,13H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
1-(2-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-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4697742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).