1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone

C17H17N3O — CID 157383939

IUPAC1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2c(C)nc(C)cc2n1-c1ccc(C)cc1
InChIInChI=1S/C17H17N3O/c1-10-5-7-14(8-6-10)20-15-9-11(2)18-12(3)16(15)19-17(20)13(4)21/h5-9H,1-4H3
InChIKeyDTZHNAYURQJBHK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.55
Rot. Bonds2

About 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone

1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone (PubChem CID 157383939) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone
PubChem CID157383939
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2c(C)nc(C)cc2n1-c1ccc(C)cc1
InChIInChI=1S/C17H17N3O/c1-10-5-7-14(8-6-10)20-15-9-11(2)18-12(3)16(15)19-17(20)13(4)21/h5-9H,1-4H3
InChIKeyDTZHNAYURQJBHK-UHFFFAOYSA-N
XLogP3.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone?
The IUPAC name of 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone (CID 157383939) is 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone is CC(=O)c1nc2c(C)nc(C)cc2n1-c1ccc(C)cc1.
What is the InChIKey of 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone?
The InChIKey is DTZHNAYURQJBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-5-7-14(8-6-10)20-15-9-11(2)18-12(3)16(15)19-17(20)13(4)21/h5-9H,1-4H3.
What are the key properties of 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone?
1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-1-(4-methylphenyl)imidazo[4,5-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 157383939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).