4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one

C24H18Cl2FN3O — CID 19242466

IUPAC4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1cccc(F)c1
InChIInChI=1S/C24H18Cl2FN3O/c25-17-9-8-15(20(26)11-17)13-30-22-7-2-1-6-21(22)28-24(30)16-10-23(31)29(14-16)19-5-3-4-18(27)12-19/h1-9,11-12,16H,10,13-14H2
InChIKeyLSROFWOSOSRKKF-UHFFFAOYSA-N
MW454.33 g/mol
LogP6.05
Rot. Bonds4

About 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one

4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 19242466) has the molecular formula C24H18Cl2FN3O and a molecular weight of 454.33 g/mol. Its IUPAC name is 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID19242466
Molecular FormulaC24H18Cl2FN3O
Molecular Weight454.33 g/mol
Exact Mass453.08
IUPAC Name4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1cccc(F)c1
InChIInChI=1S/C24H18Cl2FN3O/c25-17-9-8-15(20(26)11-17)13-30-22-7-2-1-6-21(22)28-24(30)16-10-23(31)29(14-16)19-5-3-4-18(27)12-19/h1-9,11-12,16H,10,13-14H2
InChIKeyLSROFWOSOSRKKF-UHFFFAOYSA-N
XLogP6.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one (CID 19242466) is 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1cccc(F)c1.
What is the InChIKey of 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is LSROFWOSOSRKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O/c25-17-9-8-15(20(26)11-17)13-30-22-7-2-1-6-21(22)28-24(30)16-10-23(31)29(14-16)19-5-3-4-18(27)12-19/h1-9,11-12,16H,10,13-14H2.
What are the key properties of 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one?
4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 454.33 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 19242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).