ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate

C16H16N2O3 — CID 22903637

IUPACethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C1Cc2cc(C)ccc2C1=O
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)15-17-6-7-18(15)13-9-11-8-10(2)4-5-12(11)14(13)19/h4-8,13H,3,9H2,1-2H3
InChIKeyUYKOXQNRCQCLHF-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.35
Rot. Bonds3

About ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate

ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate (PubChem CID 22903637) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate
PubChem CID22903637
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Nameethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C1Cc2cc(C)ccc2C1=O
InChIInChI=1S/C16H16N2O3/c1-3-21-16(20)15-17-6-7-18(15)13-9-11-8-10(2)4-5-12(11)14(13)19/h4-8,13H,3,9H2,1-2H3
InChIKeyUYKOXQNRCQCLHF-UHFFFAOYSA-N
XLogP2.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate?
The IUPAC name of ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate (CID 22903637) is ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate is CCOC(=O)c1nccn1C1Cc2cc(C)ccc2C1=O.
What is the InChIKey of ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate?
The InChIKey is UYKOXQNRCQCLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-16(20)15-17-6-7-18(15)13-9-11-8-10(2)4-5-12(11)14(13)19/h4-8,13H,3,9H2,1-2H3.
What are the key properties of ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate?
ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methyl-3-oxo-1,2-dihydroinden-2-yl)imidazole-2-carboxylate is sourced from PubChem (CID 22903637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).