1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one

C16H21N3OS — CID 11150842

IUPAC1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(SC)nc3ccccc32)C1
InChIInChI=1S/C16H21N3OS/c1-3-6-12-9-15(20)18(10-12)11-19-14-8-5-4-7-13(14)17-16(19)21-2/h4-5,7-8,12H,3,6,9-11H2,1-2H3
InChIKeyUEHLNJNATLEAND-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.36
Rot. Bonds5

About 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one

1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one (PubChem CID 11150842) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one
PubChem CID11150842
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cn2c(SC)nc3ccccc32)C1
InChIInChI=1S/C16H21N3OS/c1-3-6-12-9-15(20)18(10-12)11-19-14-8-5-4-7-13(14)17-16(19)21-2/h4-5,7-8,12H,3,6,9-11H2,1-2H3
InChIKeyUEHLNJNATLEAND-UHFFFAOYSA-N
XLogP3.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile
CID 69031716
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
1-[[5-fluoro-2-(2,4,4-trimethylpentyl)benzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
CID 11474696
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
CID 67113851
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
1-(1H-indol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367403
ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
CID 143347755
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one (CID 11150842) is 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cn2c(SC)nc3ccccc32)C1.
What is the InChIKey of 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one?
The InChIKey is UEHLNJNATLEAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-6-12-9-15(20)18(10-12)11-19-14-8-5-4-7-13(14)17-16(19)21-2/h4-5,7-8,12H,3,6,9-11H2,1-2H3.
What are the key properties of 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one?
1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one has a molecular weight of 303.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfanylbenzimidazol-1-yl)methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 11150842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).