4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one

C22H26N4O3 — CID 171145175

IUPAC4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCCC(=O)N1CCCC1c1nc2ccccc2n1C
InChIInChI=1S/C22H26N4O3/c1-15-13-16(27)14-21(29)25(15)11-6-10-20(28)26-12-5-9-19(26)22-23-17-7-3-4-8-18(17)24(22)2/h3-4,7-8,13-14,19,27H,5-6,9-12H2,1-2H3
InChIKeyOYOAOSDRYDBMAS-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.89
Rot. Bonds5

About 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one

4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one (PubChem CID 171145175) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
PubChem CID171145175
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCCC(=O)N1CCCC1c1nc2ccccc2n1C
InChIInChI=1S/C22H26N4O3/c1-15-13-16(27)14-21(29)25(15)11-6-10-20(28)26-12-5-9-19(26)22-23-17-7-3-4-8-18(17)24(22)2/h3-4,7-8,13-14,19,27H,5-6,9-12H2,1-2H3
InChIKeyOYOAOSDRYDBMAS-UHFFFAOYSA-N
XLogP2.89
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.89
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-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one
CID 118986051
1-[4-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 110204839
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 124875916
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 126428480
3-(2,5-difluorophenyl)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 71886897
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 95231480
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
1-[(2S)-2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
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1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one (CID 171145175) is 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one is Cc1cc(O)cc(=O)n1CCCC(=O)N1CCCC1c1nc2ccccc2n1C.
What is the InChIKey of 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one?
The InChIKey is OYOAOSDRYDBMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-13-16(27)14-21(29)25(15)11-6-10-20(28)26-12-5-9-19(26)22-23-17-7-3-4-8-18(17)24(22)2/h3-4,7-8,13-14,19,27H,5-6,9-12H2,1-2H3.
What are the key properties of 4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one?
4-hydroxy-6-methyl-1-[4-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.89, 5 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-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]pyridin-2-one is sourced from PubChem (CID 171145175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).