1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione

C17H19N5O3 — CID 178141115

IUPAC1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCOc1cc2c(cc1-c1ncc(N3CCC(=O)NC3=O)n1C)CNC2
InChIInChI=1S/C17H19N5O3/c1-21-15(22-4-3-14(23)20-17(22)24)9-19-16(21)12-5-10-7-18-8-11(10)6-13(12)25-2/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,20,23,24)
InChIKeyCFDKOQVHKRKWRJ-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.15
Rot. Bonds3

About 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione

1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione (PubChem CID 178141115) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
PubChem CID178141115
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
SMILESCOc1cc2c(cc1-c1ncc(N3CCC(=O)NC3=O)n1C)CNC2
InChIInChI=1S/C17H19N5O3/c1-21-15(22-4-3-14(23)20-17(22)24)9-19-16(21)12-5-10-7-18-8-11(10)6-13(12)25-2/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,20,23,24)
InChIKeyCFDKOQVHKRKWRJ-UHFFFAOYSA-N
XLogP1.15
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione
CID 156860589
1-[3-methyl-2-[2-(spiro[3.3]heptan-2-ylmethyl)-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141522
N-[1-amino-2-(2-chlorophenoxy)ethylidene]-2-[5-[5-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylimidazol-2-yl]-1,3-dihydroisoindol-2-yl]ethanimidamide
CID 178142324
1-[2-[2-[[4-[(5-chloro-2-fluorophenyl)methyl]phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141922
1-[3-methyl-2-[2-[[4-(2-methylcyclohexyl)oxyphenyl]methyl]-1,3-dihydroisoindol-5-yl]imidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141224
1-[2-[1-[5-[(2-chloro-6-fluorophenyl)methoxy]-1,3-dihydroisoindol-2-yl]-2,3-dihydro-1H-inden-4-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141643
1-[2-[6-[(4-cyclohexyloxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141958
1-[2-[2-[[4-amino-2-(2-chloro-4,6-difluorophenoxy)pyrimidin-5-yl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141153
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-[2-[2-[[4-(1-cyclopentylethenyl)phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141356
1-[2-[2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoro-2-methylphenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178141182
1-[2-[2-[[4-[(2-bromo-6-fluorophenyl)methoxy]phenyl]methyl]-1,3-dihydroisoindol-5-yl]-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione
CID 178142548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione (CID 178141115) is 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione is COc1cc2c(cc1-c1ncc(N3CCC(=O)NC3=O)n1C)CNC2.
What is the InChIKey of 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?
The InChIKey is CFDKOQVHKRKWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-15(22-4-3-14(23)20-17(22)24)9-19-16(21)12-5-10-7-18-8-11(10)6-13(12)25-2/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,20,23,24).
What are the key properties of 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione?
1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-3-methylimidazol-4-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178141115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).