4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid

C19H18N4O3 — CID 135151525

IUPAC4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
SMILESCN1CC(c2ncc(-c3ccc4ccccc4c3)[nH]2)N(C(=O)O)CC1=O
InChIInChI=1S/C19H18N4O3/c1-22-10-16(23(19(25)26)11-17(22)24)18-20-9-15(21-18)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,16H,10-11H2,1H3,(H,20,21)(H,25,26)
InChIKeyLMGGMXYAIVGAGH-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid

4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid (PubChem CID 135151525) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
PubChem CID135151525
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
SMILESCN1CC(c2ncc(-c3ccc4ccccc4c3)[nH]2)N(C(=O)O)CC1=O
InChIInChI=1S/C19H18N4O3/c1-22-10-16(23(19(25)26)11-17(22)24)18-20-9-15(21-18)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,16H,10-11H2,1H3,(H,20,21)(H,25,26)
InChIKeyLMGGMXYAIVGAGH-UHFFFAOYSA-N
XLogP2.72
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
1-[4-(cyclopropylmethyl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796174
2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 155796150
1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
CID 135151624
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]anthracen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 89025468
2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 154015559
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
CID 141299520
6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one
CID 155796366
1-[4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone
CID 155796428
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid (CID 135151525) is 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid is CN1CC(c2ncc(-c3ccc4ccccc4c3)[nH]2)N(C(=O)O)CC1=O.
What is the InChIKey of 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid?
The InChIKey is LMGGMXYAIVGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-10-16(23(19(25)26)11-17(22)24)18-20-9-15(21-18)14-7-6-12-4-2-3-5-13(12)8-14/h2-9,16H,10-11H2,1H3,(H,20,21)(H,25,26).
What are the key properties of 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid?
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid has a molecular weight of 350.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 135151525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).