1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C16H20N4O2 — CID 118738886

IUPAC1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccccn2)Cc2ncn(C)c21
InChIInChI=1S/C16H20N4O2/c1-19-11-18-14-9-20(8-12(10-22-2)16(14)19)15(21)7-13-5-3-4-6-17-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDLRDBNWCPSSSRU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.13
Rot. Bonds4

About 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 118738886) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
PubChem CID118738886
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCOCC1CN(C(=O)Cc2ccccn2)Cc2ncn(C)c21
InChIInChI=1S/C16H20N4O2/c1-19-11-18-14-9-20(8-12(10-22-2)16(14)19)15(21)7-13-5-3-4-6-17-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDLRDBNWCPSSSRU-UHFFFAOYSA-N
XLogP1.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 118738886) is 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is COCC1CN(C(=O)Cc2ccccn2)Cc2ncn(C)c21.
What is the InChIKey of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is DLRDBNWCPSSSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-11-18-14-9-20(8-12(10-22-2)16(14)19)15(21)7-13-5-3-4-6-17-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 300.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118738886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).