[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol

C17H21N3O2 — CID 74382623

IUPAC[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol
SMILESCCON=C1c2ccccc2C(n2cncc2CO)C1(C)C
InChIInChI=1S/C17H21N3O2/c1-4-22-19-15-13-7-5-6-8-14(13)16(17(15,2)3)20-11-18-9-12(20)10-21/h5-9,11,16,21H,4,10H2,1-3H3
InChIKeyGIVYHYIZTNENTH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.75
Rot. Bonds4

About [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol

[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol (PubChem CID 74382623) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol
PubChem CID74382623
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol
SMILESCCON=C1c2ccccc2C(n2cncc2CO)C1(C)C
InChIInChI=1S/C17H21N3O2/c1-4-22-19-15-13-7-5-6-8-14(13)16(17(15,2)3)20-11-18-9-12(20)10-21/h5-9,11,16,21H,4,10H2,1-3H3
InChIKeyGIVYHYIZTNENTH-UHFFFAOYSA-N
XLogP2.75
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol?
The IUPAC name of [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol (CID 74382623) is [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol is CCON=C1c2ccccc2C(n2cncc2CO)C1(C)C.
What is the InChIKey of [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol?
The InChIKey is GIVYHYIZTNENTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-22-19-15-13-7-5-6-8-14(13)16(17(15,2)3)20-11-18-9-12(20)10-21/h5-9,11,16,21H,4,10H2,1-3H3.
What are the key properties of [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol?
[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol has a molecular weight of 299.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol is sourced from PubChem (CID 74382623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).