7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide

C21H21N5O3 — CID 46655285

IUPAC7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)NN3C(=O)NC(C)(CCc4ccccc4)C3=O)nc2c1
InChIInChI=1S/C21H21N5O3/c1-14-9-11-25-13-16(22-17(25)12-14)18(27)24-26-19(28)21(2,23-20(26)29)10-8-15-6-4-3-5-7-15/h3-7,9,11-13H,8,10H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyMVTOTLFKORXAAE-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.23
Rot. Bonds5

About 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide

7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46655285) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46655285
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)NN3C(=O)NC(C)(CCc4ccccc4)C3=O)nc2c1
InChIInChI=1S/C21H21N5O3/c1-14-9-11-25-13-16(22-17(25)12-14)18(27)24-26-19(28)21(2,23-20(26)29)10-8-15-6-4-3-5-7-15/h3-7,9,11-13H,8,10H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyMVTOTLFKORXAAE-UHFFFAOYSA-N
XLogP2.23
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
CID 60521215
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 41082917
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 92786925
3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
CID 42920177
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 31482332
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55789437
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 31438215

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 46655285) is 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)NN3C(=O)NC(C)(CCc4ccccc4)C3=O)nc2c1.
What is the InChIKey of 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MVTOTLFKORXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-9-11-25-13-16(22-17(25)12-14)18(27)24-26-19(28)21(2,23-20(26)29)10-8-15-6-4-3-5-7-15/h3-7,9,11-13H,8,10H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide?
7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46655285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).