5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C21H22N4O3 — CID 56881866

IUPAC5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCCC2c2nc3ccc(C)cc3[nH]2)c(=O)[nH]c1C
InChIInChI=1S/C21H22N4O3/c1-11-6-7-16-17(9-11)24-19(23-16)18-5-4-8-25(18)21(28)15-10-14(13(3)26)12(2)22-20(15)27/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyCCQKHFYPNLLCNP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.05
Rot. Bonds3

About 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56881866) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56881866
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCCC2c2nc3ccc(C)cc3[nH]2)c(=O)[nH]c1C
InChIInChI=1S/C21H22N4O3/c1-11-6-7-16-17(9-11)24-19(23-16)18-5-4-8-25(18)21(28)15-10-14(13(3)26)12(2)22-20(15)27/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyCCQKHFYPNLLCNP-UHFFFAOYSA-N
XLogP3.05
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56885278
4-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94876669
5-methyl-4-[2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,2-dihydropyrazol-3-one
CID 91828476
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70710523
[2-(1H-imidazol-2-yl)phenyl]-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95897284
isoquinolin-1-yl-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60612000
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
2-[4-(hydroxymethyl)phenyl]-1-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95871688
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
[(2S)-2-(6-methylsulfanyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118127106
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70738485

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 56881866) is 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CC(=O)c1cc(C(=O)N2CCCC2c2nc3ccc(C)cc3[nH]2)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CCQKHFYPNLLCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-11-6-7-16-17(9-11)24-19(23-16)18-5-4-8-25(18)21(28)15-10-14(13(3)26)12(2)22-20(15)27/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 378.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56881866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).