phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate

C19H15IN2O4 — CID 162355858

IUPACphenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
SMILESCON1C(=O)n2c(cc3cc(I)ccc32)C1CC(=O)Oc1ccccc1
InChIInChI=1S/C19H15IN2O4/c1-25-22-17(11-18(23)26-14-5-3-2-4-6-14)16-10-12-9-13(20)7-8-15(12)21(16)19(22)24/h2-10,17H,11H2,1H3
InChIKeyWVOUYHMTUXJPSJ-UHFFFAOYSA-N
MW462.24 g/mol
LogP4.13
Rot. Bonds4

About phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate

phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate (PubChem CID 162355858) has the molecular formula C19H15IN2O4 and a molecular weight of 462.24 g/mol. Its IUPAC name is phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
PubChem CID162355858
Molecular FormulaC19H15IN2O4
Molecular Weight462.24 g/mol
Exact Mass462.01
IUPAC Namephenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate
SMILESCON1C(=O)n2c(cc3cc(I)ccc32)C1CC(=O)Oc1ccccc1
InChIInChI=1S/C19H15IN2O4/c1-25-22-17(11-18(23)26-14-5-3-2-4-6-14)16-10-12-9-13(20)7-8-15(12)21(16)19(22)24/h2-10,17H,11H2,1H3
InChIKeyWVOUYHMTUXJPSJ-UHFFFAOYSA-N
XLogP4.13
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-[2-methoxy-4-methyl-1-(oxomethylidene)-3H-imidazo[1,5-a]indol-3-yl]acetate
CID 162355868
phenyl 2-(7-fluoro-2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
CID 175177809
(4-methylphenyl) 2-(2-methoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
CID 175180617
phenyl 2-(2-ethoxy-3-oxo-1H-imidazo[1,5-a]indol-1-yl)acetate
CID 175177902
phenyl propanoate
CID 161258381
CID 161494205
CID 161494205
phenyl 2-[(2S,4E)-4-(dimethylaminomethylidene)-5-oxooxolan-2-yl]acetate
CID 10802341
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
phenyl butanoate
CID 20354
phenyl 4,4-dimethylpentanoate
CID 58459416
phenyl 2-(2-oxo-1-pyridinyl)acetate
CID 3716691

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The IUPAC name of phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate (CID 162355858) is phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate.
What is the SMILES notation for phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The canonical SMILES for phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate is CON1C(=O)n2c(cc3cc(I)ccc32)C1CC(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
The InChIKey is WVOUYHMTUXJPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O4/c1-25-22-17(11-18(23)26-14-5-3-2-4-6-14)16-10-12-9-13(20)7-8-15(12)21(16)19(22)24/h2-10,17H,11H2,1H3.
What are the key properties of phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate?
phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate has a molecular weight of 462.24 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(6-iodo-2-methoxy-1-oxo-3H-imidazo[1,5-a]indol-3-yl)acetate is sourced from PubChem (CID 162355858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).