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

C18H30N4O3 — CID 118740956

IUPAC2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCN(C)CC(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C18H30N4O3/c1-20(2)10-17(23)22-8-15(18-16(9-22)19-13-21(18)3)12-25-11-14-4-6-24-7-5-14/h13-15H,4-12H2,1-3H3
InChIKeyCSJABTGNLGZPJV-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.85
Rot. Bonds6

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

2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 118740956) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID118740956
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCN(C)CC(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1
InChIInChI=1S/C18H30N4O3/c1-20(2)10-17(23)22-8-15(18-16(9-22)19-13-21(18)3)12-25-11-14-4-6-24-7-5-14/h13-15H,4-12H2,1-3H3
InChIKeyCSJABTGNLGZPJV-UHFFFAOYSA-N
XLogP0.85
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (CID 118740956) is 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is CN(C)CC(=O)N1Cc2ncn(C)c2C(COCC2CCOCC2)C1.
What is the InChIKey of 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is CSJABTGNLGZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20(2)10-17(23)22-8-15(18-16(9-22)19-13-21(18)3)12-25-11-14-4-6-24-7-5-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 350.46 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 118740956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).