ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate

C16H18N2O4 — CID 91258105

IUPACethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate
SMILESCCOC(=O)CC1Cc2ccccc2C1c1[nH]c(=O)[nH]c1O
InChIInChI=1S/C16H18N2O4/c1-2-22-12(19)8-10-7-9-5-3-4-6-11(9)13(10)14-15(20)18-16(21)17-14/h3-6,10,13,20H,2,7-8H2,1H3,(H2,17,18,21)
InChIKeyKRBPJPUKIHYYQH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.67
Rot. Bonds4

About ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate

ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate (PubChem CID 91258105) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate
PubChem CID91258105
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate
SMILESCCOC(=O)CC1Cc2ccccc2C1c1[nH]c(=O)[nH]c1O
InChIInChI=1S/C16H18N2O4/c1-2-22-12(19)8-10-7-9-5-3-4-6-11(9)13(10)14-15(20)18-16(21)17-14/h3-6,10,13,20H,2,7-8H2,1H3,(H2,17,18,21)
InChIKeyKRBPJPUKIHYYQH-UHFFFAOYSA-N
XLogP1.67
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-1-yl]acetate
CID 139496841
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-[(1R,3S)-3-amino-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 129387633
ethyl 2-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-1-yl]acetate
CID 15411735
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663
ethyl 2-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125980
ethyl 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)acetate
CID 15190358
ethyl 1-oxo-3-phenyl-2,4a,5,9b-tetrahydroindeno[1,2-c]pyridine-4-carboxylate
CID 4251598
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl 2-(2,3-dihydro-1H-inden-2-ylamino)oxyacetate
CID 171725944
diethyl 2-(2-amino-2,3-dihydro-1H-inden-1-yl)-2-(2-methoxyethyl)propanedioate
CID 76594925

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate?
The IUPAC name of ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate (CID 91258105) is ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate is CCOC(=O)CC1Cc2ccccc2C1c1[nH]c(=O)[nH]c1O.
What is the InChIKey of ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate?
The InChIKey is KRBPJPUKIHYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-12(19)8-10-7-9-5-3-4-6-11(9)13(10)14-15(20)18-16(21)17-14/h3-6,10,13,20H,2,7-8H2,1H3,(H2,17,18,21).
What are the key properties of ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate?
ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)-2,3-dihydro-1H-inden-2-yl]acetate is sourced from PubChem (CID 91258105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).