N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C24H19FN4O2 — CID 42883707

IUPACN-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C24H19FN4O2/c25-19-5-1-3-7-21(19)28-14-16(13-23(28)30)24(31)27-17-9-11-18(12-10-17)29-15-26-20-6-2-4-8-22(20)29/h1-12,15-16H,13-14H2,(H,27,31)
InChIKeyKCTGWDJGAPDPDB-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.16
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42883707) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42883707
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C24H19FN4O2/c25-19-5-1-3-7-21(19)28-14-16(13-23(28)30)24(31)27-17-9-11-18(12-10-17)29-15-26-20-6-2-4-8-22(20)29/h1-12,15-16H,13-14H2,(H,27,31)
InChIKeyKCTGWDJGAPDPDB-UHFFFAOYSA-N
XLogP4.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
(3S)-N-(3,5-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529003
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
1-(2-fluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 166318281
(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 41491419
1-(2-fluorophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 580303
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 8623706
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
N-[4-(benzimidazol-1-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24512634

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 42883707) is N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KCTGWDJGAPDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-19-5-1-3-7-21(19)28-14-16(13-23(28)30)24(31)27-17-9-11-18(12-10-17)29-15-26-20-6-2-4-8-22(20)29/h1-12,15-16H,13-14H2,(H,27,31).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42883707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).