N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide

C23H26N4O2 — CID 166363719

IUPACN-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(-n3cc[nH]c3=O)c2)CN1Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-23(2)14-19(16-26(23)15-17-7-4-3-5-8-17)25-21(28)18-9-6-10-20(13-18)27-12-11-24-22(27)29/h3-13,19H,14-16H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyDMTNBNCLJHAAAI-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.95
Rot. Bonds5

About N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide

N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide (PubChem CID 166363719) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide
PubChem CID166363719
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2cccc(-n3cc[nH]c3=O)c2)CN1Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-23(2)14-19(16-26(23)15-17-7-4-3-5-8-17)25-21(28)18-9-6-10-20(13-18)27-12-11-24-22(27)29/h3-13,19H,14-16H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyDMTNBNCLJHAAAI-UHFFFAOYSA-N
XLogP2.95
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 40952996
[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 167930687
1-[[(1-benzyl-5,5-dimethylpyrrolidin-3-yl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 75393021
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
N-(3H-benzimidazol-5-ylmethyl)-1-benzyl-5,5-dimethylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 166307311
3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one
CID 166375690
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
[(3R)-1-benzyl-5,5-dimethylpiperidin-3-yl]carbamic acid
CID 129241403
3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one
CID 59316380
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide?
The IUPAC name of N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide (CID 166363719) is N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide.
What is the SMILES notation for N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide?
The canonical SMILES for N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide is CC1(C)CC(NC(=O)c2cccc(-n3cc[nH]c3=O)c2)CN1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide?
The InChIKey is DMTNBNCLJHAAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2)14-19(16-26(23)15-17-7-4-3-5-8-17)25-21(28)18-9-6-10-20(13-18)27-12-11-24-22(27)29/h3-13,19H,14-16H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide?
N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)-3-(2-oxo-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 166363719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).