4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

C24H18Cl2FN3O — CID 18889114

IUPAC4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CN1c1ccc(F)cc1
InChIInChI=1S/C24H18Cl2FN3O/c25-19-4-3-5-20(26)18(19)14-30-22-7-2-1-6-21(22)28-24(30)15-12-23(31)29(13-15)17-10-8-16(27)9-11-17/h1-11,15H,12-14H2
InChIKeyPRZYEMRKWIHBBW-UHFFFAOYSA-N
MW454.33 g/mol
LogP6.05
Rot. Bonds4

About 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one

4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 18889114) has the molecular formula C24H18Cl2FN3O and a molecular weight of 454.33 g/mol. Its IUPAC name is 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID18889114
Molecular FormulaC24H18Cl2FN3O
Molecular Weight454.33 g/mol
Exact Mass453.08
IUPAC Name4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CN1c1ccc(F)cc1
InChIInChI=1S/C24H18Cl2FN3O/c25-19-4-3-5-20(26)18(19)14-30-22-7-2-1-6-21(22)28-24(30)15-12-23(31)29(13-15)17-10-8-16(27)9-11-17/h1-11,15H,12-14H2
InChIKeyPRZYEMRKWIHBBW-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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Related Compounds

4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 17005574
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40728257
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051
1-(3,4-dimethylphenyl)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4753815
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
(4S)-1-(4-fluorophenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698975
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 18811104
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17004648
1-(4-fluorophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889124
(4R)-4-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40852342

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 18889114) is 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CN1c1ccc(F)cc1.
What is the InChIKey of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is PRZYEMRKWIHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O/c25-19-4-3-5-20(26)18(19)14-30-22-7-2-1-6-21(22)28-24(30)15-12-23(31)29(13-15)17-10-8-16(27)9-11-17/h1-11,15H,12-14H2.
What are the key properties of 4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-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-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 18889114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).