methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate

C17H27N3O3 — CID 170735288

IUPACmethyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CCN(CCOC1CCCCC1)C2
InChIInChI=1S/C17H27N3O3/c1-19-15-8-9-20(10-11-23-13-6-4-3-5-7-13)12-14(15)18-16(19)17(21)22-2/h13H,3-12H2,1-2H3
InChIKeyZRRQMDFUDIFABL-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.91
Rot. Bonds5

About methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate

methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate (PubChem CID 170735288) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
PubChem CID170735288
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Namemethyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate
SMILESCOC(=O)c1nc2c(n1C)CCN(CCOC1CCCCC1)C2
InChIInChI=1S/C17H27N3O3/c1-19-15-8-9-20(10-11-23-13-6-4-3-5-7-13)12-14(15)18-16(19)17(21)22-2/h13H,3-12H2,1-2H3
InChIKeyZRRQMDFUDIFABL-UHFFFAOYSA-N
XLogP1.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate (CID 170735288) is methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate is COC(=O)c1nc2c(n1C)CCN(CCOC1CCCCC1)C2.
What is the InChIKey of methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
The InChIKey is ZRRQMDFUDIFABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-19-15-8-9-20(10-11-23-13-6-4-3-5-7-13)12-14(15)18-16(19)17(21)22-2/h13H,3-12H2,1-2H3.
What are the key properties of methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate?
methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-cyclohexyloxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxylate is sourced from PubChem (CID 170735288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).