1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C22H23Cl2N3O — CID 43842066

IUPAC1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C22H23Cl2N3O/c1-2-3-10-26-13-16(11-21(26)28)22-25-19-6-4-5-7-20(19)27(22)14-15-8-9-17(23)12-18(15)24/h4-9,12,16H,2-3,10-11,13-14H2,1H3
InChIKeyAXCFVTGUOAFYFC-UHFFFAOYSA-N
MW416.35 g/mol
LogP5.51
Rot. Bonds6

About 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 43842066) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID43842066
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCCCN1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C22H23Cl2N3O/c1-2-3-10-26-13-16(11-21(26)28)22-25-19-6-4-5-7-20(19)27(22)14-15-8-9-17(23)12-18(15)24/h4-9,12,16H,2-3,10-11,13-14H2,1H3
InChIKeyAXCFVTGUOAFYFC-UHFFFAOYSA-N
XLogP5.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
(4R)-1-butyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 95055110
1-butyl-4-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 43842058
1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 43837404
(4S)-1-butyl-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 39115865
1-butyl-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17027774
1-cyclohexyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005301
(4S)-1-butyl-4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35179874
(4R)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346319
(4S)-4-(1-butylbenzimidazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 25346317
1-butyl-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 43842072

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 43842066) is 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is CCCCN1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is AXCFVTGUOAFYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O/c1-2-3-10-26-13-16(11-21(26)28)22-25-19-6-4-5-7-20(19)27(22)14-15-8-9-17(23)12-18(15)24/h4-9,12,16H,2-3,10-11,13-14H2,1H3.
What are the key properties of 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 416.35 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 43842066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).