N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C25H27FN4O2 — CID 71685702

IUPACN-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)CC1=O
InChIInChI=1S/C25H27FN4O2/c1-17(2)13-29-15-20(12-22(29)31)25(32)28-24-23(19-8-10-21(26)11-9-19)27-16-30(24)14-18-6-4-3-5-7-18/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,32)
InChIKeyVOKYRBFXPPXIDL-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.18
Rot. Bonds7

About N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71685702) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71685702
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)CC1=O
InChIInChI=1S/C25H27FN4O2/c1-17(2)13-29-15-20(12-22(29)31)25(32)28-24-23(19-8-10-21(26)11-9-19)27-16-30(24)14-18-6-4-3-5-7-18/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,32)
InChIKeyVOKYRBFXPPXIDL-UHFFFAOYSA-N
XLogP4.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95298412
N-(3,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183590
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 71685702) is N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)CC1=O.
What is the InChIKey of N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VOKYRBFXPPXIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17(2)13-29-15-20(12-22(29)31)25(32)28-24-23(19-8-10-21(26)11-9-19)27-16-30(24)14-18-6-4-3-5-7-18/h3-11,16-17,20H,12-15H2,1-2H3,(H,28,32).
What are the key properties of N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71685702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).