1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C20H28N4O2 — CID 118747201

IUPAC1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(Cc1ccccn1)C2
InChIInChI=1S/C20H28N4O2/c1-23-15-22-19-12-24(11-18-4-2-3-7-21-18)10-17(20(19)23)14-26-13-16-5-8-25-9-6-16/h2-4,7,15-17H,5-6,8-14H2,1H3
InChIKeyFHUHHZVNFXQBOZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.36
Rot. Bonds6

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

1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 118747201) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID118747201
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1C(COCC1CCOCC1)CN(Cc1ccccn1)C2
InChIInChI=1S/C20H28N4O2/c1-23-15-22-19-12-24(11-18-4-2-3-7-21-18)10-17(20(19)23)14-26-13-16-5-8-25-9-6-16/h2-4,7,15-17H,5-6,8-14H2,1H3
InChIKeyFHUHHZVNFXQBOZ-UHFFFAOYSA-N
XLogP2.36
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 118747201) is 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1C(COCC1CCOCC1)CN(Cc1ccccn1)C2.
What is the InChIKey of 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is FHUHHZVNFXQBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-15-22-19-12-24(11-18-4-2-3-7-21-18)10-17(20(19)23)14-26-13-16-5-8-25-9-6-16/h2-4,7,15-17H,5-6,8-14H2,1H3.
What are the key properties of 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 356.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 118747201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).