(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C21H23N3OS — CID 7080683

IUPAC(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3OS/c1-3-11-23-19-10-5-4-9-18(19)22-21(23)15-12-20(25)24(14-15)16-7-6-8-17(13-16)26-2/h4-10,13,15H,3,11-12,14H2,1-2H3/t15-/m0/s1
InChIKeyVIQWEJAAOBGEIH-HNNXBMFYSA-N
MW365.50 g/mol
LogP4.69
Rot. Bonds5

About (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 7080683) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID7080683
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21
InChIInChI=1S/C21H23N3OS/c1-3-11-23-19-10-5-4-9-18(19)22-21(23)15-12-20(25)24(14-15)16-7-6-8-17(13-16)26-2/h4-10,13,15H,3,11-12,14H2,1-2H3/t15-/m0/s1
InChIKeyVIQWEJAAOBGEIH-HNNXBMFYSA-N
XLogP4.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3-methylsulfanylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812744
(4R)-4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080692
(4R)-4-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 40698878
(4R)-1-(3-methylsulfanylphenyl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080684
(4S)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 40852547
(4R)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 40814595
(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080434
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
1-(3-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242434
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964716
1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16812358
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 1034388

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 7080683) is (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21.
What is the InChIKey of (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is VIQWEJAAOBGEIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-3-11-23-19-10-5-4-9-18(19)22-21(23)15-12-20(25)24(14-15)16-7-6-8-17(13-16)26-2/h4-10,13,15H,3,11-12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 365.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 7080683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).