N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide

C22H22ClN3O5 — CID 3719033

IUPACN-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide
SMILESCOc1ccc(Cl)cc1N1C(=O)C2CC(NC(=O)C(O)c3ccccc3)CCN2C1=O
InChIInChI=1S/C22H22ClN3O5/c1-31-18-8-7-14(23)11-16(18)26-21(29)17-12-15(9-10-25(17)22(26)30)24-20(28)19(27)13-5-3-2-4-6-13/h2-8,11,15,17,19,27H,9-10,12H2,1H3,(H,24,28)
InChIKeyMRBJFPBZKAGKEI-UHFFFAOYSA-N
MW443.89 g/mol
LogP2.50
Rot. Bonds5

About N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide

N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 3719033) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide
PubChem CID3719033
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC NameN-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide
SMILESCOc1ccc(Cl)cc1N1C(=O)C2CC(NC(=O)C(O)c3ccccc3)CCN2C1=O
InChIInChI=1S/C22H22ClN3O5/c1-31-18-8-7-14(23)11-16(18)26-21(29)17-12-15(9-10-25(17)22(26)30)24-20(28)19(27)13-5-3-2-4-6-13/h2-8,11,15,17,19,27H,9-10,12H2,1H3,(H,24,28)
InChIKeyMRBJFPBZKAGKEI-UHFFFAOYSA-N
XLogP2.50
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 52.50
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

N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
CID 7051204
(2S)-N-[(3S,5R,9S,11S)-2,8-dioxo-5-prop-2-enoxy-1,7-diazatricyclo[7.4.0.03,7]tridecan-11-yl]-2-hydroxy-2-phenylacetamide
CID 11867129
1-[2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-3-propan-2-ylurea
CID 3578583
1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 3152007
(3R)-1-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)pyrrolidine-2,5-dione
CID 1078959
(3aS,4S,8aR,8bS)-4-benzoyl-2-(5-chloro-2-methoxyphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 99982806
2-chloro-N-[2-(3-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 3782760
N-[(7S,8aS)-2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-chloropyridine-4-carboxamide
CID 7050279
N-[(7R,8aS)-2-(3-chloro-4-fluorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]thiophene-2-carboxamide
CID 163087135
(1S,2S,6R,7S)-4-(5-chloro-2-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23309455
2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-phenylpropanamide;dihydrochloride
CID 120596351
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide (CID 3719033) is N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide is COc1ccc(Cl)cc1N1C(=O)C2CC(NC(=O)C(O)c3ccccc3)CCN2C1=O.
What is the InChIKey of N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is MRBJFPBZKAGKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c1-31-18-8-7-14(23)11-16(18)26-21(29)17-12-15(9-10-25(17)22(26)30)24-20(28)19(27)13-5-3-2-4-6-13/h2-8,11,15,17,19,27H,9-10,12H2,1H3,(H,24,28).
What are the key properties of N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide?
N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 443.89 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 3719033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).