methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate

C17H20N2O3 — CID 54164846

IUPACmethyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1C1c2ccccc2C(OC)C1(C)C
InChIInChI=1S/C17H20N2O3/c1-17(2)14(19-10-18-9-13(19)16(20)22-4)11-7-5-6-8-12(11)15(17)21-3/h5-10,14-15H,1-4H3
InChIKeyOQXMWZTXIAQFJL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.99
Rot. Bonds3

About methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate

methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate (PubChem CID 54164846) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate
PubChem CID54164846
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate
SMILESCOC(=O)c1cncn1C1c2ccccc2C(OC)C1(C)C
InChIInChI=1S/C17H20N2O3/c1-17(2)14(19-10-18-9-13(19)16(20)22-4)11-7-5-6-8-12(11)15(17)21-3/h5-10,14-15H,1-4H3
InChIKeyOQXMWZTXIAQFJL-UHFFFAOYSA-N
XLogP2.99
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate?
The IUPAC name of methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate (CID 54164846) is methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate?
The canonical SMILES for methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate is COC(=O)c1cncn1C1c2ccccc2C(OC)C1(C)C.
What is the InChIKey of methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate?
The InChIKey is OQXMWZTXIAQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2)14(19-10-18-9-13(19)16(20)22-4)11-7-5-6-8-12(11)15(17)21-3/h5-10,14-15H,1-4H3.
What are the key properties of methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate?
methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxy-2,2-dimethyl-1,3-dihydroinden-1-yl)imidazole-4-carboxylate is sourced from PubChem (CID 54164846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).