5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C17H25N3O2 — CID 118739305

IUPAC5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)COCC1CN(Cc2ccco2)Cc2ncn(C)c21
InChIInChI=1S/C17H25N3O2/c1-13(2)10-21-11-14-7-20(8-15-5-4-6-22-15)9-16-17(14)19(3)12-18-16/h4-6,12-14H,7-11H2,1-3H3
InChIKeyJTEXCYYMJXSOPS-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.79
Rot. Bonds6

About 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118739305) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118739305
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)COCC1CN(Cc2ccco2)Cc2ncn(C)c21
InChIInChI=1S/C17H25N3O2/c1-13(2)10-21-11-14-7-20(8-15-5-4-6-22-15)9-16-17(14)19(3)12-18-16/h4-6,12-14H,7-11H2,1-3H3
InChIKeyJTEXCYYMJXSOPS-UHFFFAOYSA-N
XLogP2.79
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118739305) is 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)COCC1CN(Cc2ccco2)Cc2ncn(C)c21.
What is the InChIKey of 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is JTEXCYYMJXSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)10-21-11-14-7-20(8-15-5-4-6-22-15)9-16-17(14)19(3)12-18-16/h4-6,12-14H,7-11H2,1-3H3.
What are the key properties of 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 303.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118739305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).