4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide

C24H26ClN5O2 — CID 18447689

IUPAC4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C24H26ClN5O2/c1-28(2)16-22-26-11-12-29(22)20-7-9-21(10-8-20)30-15-17(13-23(30)31)14-27-24(32)18-3-5-19(25)6-4-18/h3-12,17H,13-16H2,1-2H3,(H,27,32)
InChIKeyXHLAZMODNBHUNL-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.37
Rot. Bonds7

About 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide

4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 18447689) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID18447689
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C24H26ClN5O2/c1-28(2)16-22-26-11-12-29(22)20-7-9-21(10-8-20)30-15-17(13-23(30)31)14-27-24(32)18-3-5-19(25)6-4-18/h3-12,17H,13-16H2,1-2H3,(H,27,32)
InChIKeyXHLAZMODNBHUNL-UHFFFAOYSA-N
XLogP3.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 18447730
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16918866
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[5-oxo-1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 18448030
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 18447689) is 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide is CN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)CC2=O)cc1.
What is the InChIKey of 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is XHLAZMODNBHUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-28(2)16-22-26-11-12-29(22)20-7-9-21(10-8-20)30-15-17(13-23(30)31)14-27-24(32)18-3-5-19(25)6-4-18/h3-12,17H,13-16H2,1-2H3,(H,27,32).
What are the key properties of 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide?
4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 451.96 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]phenyl]-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 18447689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).