2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one

C14H17N3O3 — CID 82996620

IUPAC2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one
SMILESCCOc1cc2c(cc1C1N=C(N)NC1=O)OC(C)C2
InChIInChI=1S/C14H17N3O3/c1-3-19-11-5-8-4-7(2)20-10(8)6-9(11)12-13(18)17-14(15)16-12/h5-7,12H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyBBQBLHNZEFKQPJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one

2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one (PubChem CID 82996620) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one
PubChem CID82996620
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one
SMILESCCOc1cc2c(cc1C1N=C(N)NC1=O)OC(C)C2
InChIInChI=1S/C14H17N3O3/c1-3-19-11-5-8-4-7(2)20-10(8)6-9(11)12-13(18)17-14(15)16-12/h5-7,12H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyBBQBLHNZEFKQPJ-UHFFFAOYSA-N
XLogP0.89
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one with MolForge

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Related Compounds

5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
CID 16783888
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5,5-dimethylpyrrolidin-2-one
CID 66107409
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
CID 63156343
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 135632918
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559021
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-hydroxymethanesulfonic acid
CID 103574423
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-iodo-1H-pyrimidin-6-one
CID 66313740

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one (CID 82996620) is 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one is CCOc1cc2c(cc1C1N=C(N)NC1=O)OC(C)C2.
What is the InChIKey of 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is BBQBLHNZEFKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-19-11-5-8-4-7(2)20-10(8)6-9(11)12-13(18)17-14(15)16-12/h5-7,12H,3-4H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one?
2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 275.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).