methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate

C18H19N3O2 — CID 91303771

IUPACmethyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate
SMILESCOC(=O)NC(c1c(C)cccc1C)c1cnc2ccccn12
InChIInChI=1S/C18H19N3O2/c1-12-7-6-8-13(2)16(12)17(20-18(22)23-3)14-11-19-15-9-4-5-10-21(14)15/h4-11,17H,1-3H3,(H,20,22)
InChIKeyQDYOIIOUVHPGTG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.40
Rot. Bonds3

About methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate

methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate (PubChem CID 91303771) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate
PubChem CID91303771
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate
SMILESCOC(=O)NC(c1c(C)cccc1C)c1cnc2ccccn12
InChIInChI=1S/C18H19N3O2/c1-12-7-6-8-13(2)16(12)17(20-18(22)23-3)14-11-19-15-9-4-5-10-21(14)15/h4-11,17H,1-3H3,(H,20,22)
InChIKeyQDYOIIOUVHPGTG-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
The IUPAC name of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate (CID 91303771) is methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate.
What is the SMILES notation for methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
The canonical SMILES for methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate is COC(=O)NC(c1c(C)cccc1C)c1cnc2ccccn12.
What is the InChIKey of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
The InChIKey is QDYOIIOUVHPGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-7-6-8-13(2)16(12)17(20-18(22)23-3)14-11-19-15-9-4-5-10-21(14)15/h4-11,17H,1-3H3,(H,20,22).
What are the key properties of methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate?
methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,6-dimethylphenyl)-imidazo[1,2-a]pyridin-3-ylmethyl]carbamate is sourced from PubChem (CID 91303771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).