(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C21H20F3N3O — CID 7080434

IUPAC(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21
InChIInChI=1S/C21H20F3N3O/c1-2-10-26-18-9-4-3-8-17(18)25-20(26)14-11-19(28)27(13-14)16-7-5-6-15(12-16)21(22,23)24/h3-9,12,14H,2,10-11,13H2,1H3/t14-/m0/s1
InChIKeyCNQZJIZKZZZZII-AWEZNQCLSA-N
MW387.41 g/mol
LogP4.99
Rot. Bonds4

About (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 7080434) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID7080434
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21
InChIInChI=1S/C21H20F3N3O/c1-2-10-26-18-9-4-3-8-17(18)25-20(26)14-11-19(28)27(13-14)16-7-5-6-15(12-16)21(22,23)24/h3-9,12,14H,2,10-11,13H2,1H3/t14-/m0/s1
InChIKeyCNQZJIZKZZZZII-AWEZNQCLSA-N
XLogP4.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[1-(2-methylpropyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080442
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 1299421
(4R)-4-(1-methylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080429
(4S)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40812640
(4R)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40836236
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 40836255
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811250
(4S)-1-(3-methylsulfanylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080683
4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 6200874
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811274
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 18811270

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 7080434) is (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21.
What is the InChIKey of (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is CNQZJIZKZZZZII-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-2-10-26-18-9-4-3-8-17(18)25-20(26)14-11-19(28)27(13-14)16-7-5-6-15(12-16)21(22,23)24/h3-9,12,14H,2,10-11,13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 387.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-propylbenzimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 7080434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).