1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone

C18H18N2O2 — CID 20812189

IUPAC1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone
SMILESCC(=O)c1cc(OCc2ccccc2)c2nc(C)c(C)n2c1
InChIInChI=1S/C18H18N2O2/c1-12-13(2)20-10-16(14(3)21)9-17(18(20)19-12)22-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeyHHTRIHIMEAYCBM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.73
Rot. Bonds4

About 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone

1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone (PubChem CID 20812189) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone
PubChem CID20812189
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone
SMILESCC(=O)c1cc(OCc2ccccc2)c2nc(C)c(C)n2c1
InChIInChI=1S/C18H18N2O2/c1-12-13(2)20-10-16(14(3)21)9-17(18(20)19-12)22-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeyHHTRIHIMEAYCBM-UHFFFAOYSA-N
XLogP3.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone?
The IUPAC name of 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone (CID 20812189) is 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone is CC(=O)c1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.
What is the InChIKey of 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone?
The InChIKey is HHTRIHIMEAYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-13(2)20-10-16(14(3)21)9-17(18(20)19-12)22-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone?
1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone is sourced from PubChem (CID 20812189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).