4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one

C24H30N4O3 — CID 118986051

IUPAC4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCCC(=O)N1CCCC1c1nc2ccccc2n1C(C)C
InChIInChI=1S/C24H30N4O3/c1-16(2)28-20-9-5-4-8-19(20)25-24(28)21-10-6-13-27(21)22(30)11-7-12-26-17(3)14-18(29)15-23(26)31/h4-5,8-9,14-16,21,29H,6-7,10-13H2,1-3H3
InChIKeyLEDBLXKSQNTAKZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.94
Rot. Bonds6

About 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one

4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one (PubChem CID 118986051) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one
PubChem CID118986051
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCCC(=O)N1CCCC1c1nc2ccccc2n1C(C)C
InChIInChI=1S/C24H30N4O3/c1-16(2)28-20-9-5-4-8-19(20)25-24(28)21-10-6-13-27(21)22(30)11-7-12-26-17(3)14-18(29)15-23(26)31/h4-5,8-9,14-16,21,29H,6-7,10-13H2,1-3H3
InChIKeyLEDBLXKSQNTAKZ-UHFFFAOYSA-N
XLogP3.94
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-6-methyl-1-[4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
CID 91822587
4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
CID 171145175
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 124875916
1-[4-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 110204839
1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 128962564
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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CID 96571306
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CID 39115786
1-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 43837383
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one (CID 118986051) is 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one is Cc1cc(O)cc(=O)n1CCCC(=O)N1CCCC1c1nc2ccccc2n1C(C)C.
What is the InChIKey of 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one?
The InChIKey is LEDBLXKSQNTAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16(2)28-20-9-5-4-8-19(20)25-24(28)21-10-6-13-27(21)22(30)11-7-12-26-17(3)14-18(29)15-23(26)31/h4-5,8-9,14-16,21,29H,6-7,10-13H2,1-3H3.
What are the key properties of 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one?
4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one has a molecular weight of 422.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one is sourced from PubChem (CID 118986051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).