[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate

C16H15N3O2 — CID 70185760

IUPAC[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(C)nc3cnccc32)cc1
InChIInChI=1S/C16H15N3O2/c1-11-18-15-9-17-8-7-16(15)19(11)14-5-3-13(4-6-14)10-21-12(2)20/h3-9H,10H2,1-2H3
InChIKeyVIFYHSOIGWMSBL-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.79
Rot. Bonds3

About [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate

[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate (PubChem CID 70185760) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
PubChem CID70185760
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(-n2c(C)nc3cnccc32)cc1
InChIInChI=1S/C16H15N3O2/c1-11-18-15-9-17-8-7-16(15)19(11)14-5-3-13(4-6-14)10-21-12(2)20/h3-9H,10H2,1-2H3
InChIKeyVIFYHSOIGWMSBL-UHFFFAOYSA-N
XLogP2.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate?
The IUPAC name of [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate (CID 70185760) is [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate.
What is the SMILES notation for [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate?
The canonical SMILES for [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate is CC(=O)OCc1ccc(-n2c(C)nc3cnccc32)cc1.
What is the InChIKey of [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate?
The InChIKey is VIFYHSOIGWMSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-18-15-9-17-8-7-16(15)19(11)14-5-3-13(4-6-14)10-21-12(2)20/h3-9H,10H2,1-2H3.
What are the key properties of [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate?
[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate has a molecular weight of 281.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]methyl acetate is sourced from PubChem (CID 70185760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).