1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C19H31N3O3 — CID 118746926

IUPAC1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(C1CCOCC1)C2
InChIInChI=1S/C19H31N3O3/c1-21-14-20-18-11-22(17-4-8-24-9-5-17)10-16(19(18)21)13-25-12-15-2-6-23-7-3-15/h14-17H,2-13H2,1H3
InChIKeyHJFNKYMNASTXAE-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.94
Rot. Bonds5

About 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118746926) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118746926
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(C1CCOCC1)C2
InChIInChI=1S/C19H31N3O3/c1-21-14-20-18-11-22(17-4-8-24-9-5-17)10-16(19(18)21)13-25-12-15-2-6-23-7-3-15/h14-17H,2-13H2,1H3
InChIKeyHJFNKYMNASTXAE-UHFFFAOYSA-N
XLogP1.94
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118746926) is 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1C(COCC1CCOCC1)CN(C1CCOCC1)C2.
What is the InChIKey of 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is HJFNKYMNASTXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-21-14-20-18-11-22(17-4-8-24-9-5-17)10-16(19(18)21)13-25-12-15-2-6-23-7-3-15/h14-17H,2-13H2,1H3.
What are the key properties of 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 349.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxan-4-yl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118746926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).