(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride

C17H18ClN3O2 — CID 146109848

IUPAC(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride
SMILESCN(C)C(=O)Oc1ccc2n(C)c(-c3ccccc3)c[n+]2c1.[Cl-]
InChIInChI=1S/C17H18N3O2.ClH/c1-18(2)17(21)22-14-9-10-16-19(3)15(12-20(16)11-14)13-7-5-4-6-8-13;/h4-12H,1-3H3;1H/q+1;/p-1
InChIKeyYUCCKZQPIGYZLT-UHFFFAOYSA-M
MW331.80 g/mol
LogP-0.50
Rot. Bonds2

About (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride

(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride (PubChem CID 146109848) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride.

Molecular Properties

Compound Name(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride
PubChem CID146109848
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride
SMILESCN(C)C(=O)Oc1ccc2n(C)c(-c3ccccc3)c[n+]2c1.[Cl-]
InChIInChI=1S/C17H18N3O2.ClH/c1-18(2)17(21)22-14-9-10-16-19(3)15(12-20(16)11-14)13-7-5-4-6-8-13;/h4-12H,1-3H3;1H/q+1;/p-1
InChIKeyYUCCKZQPIGYZLT-UHFFFAOYSA-M
XLogP-0.50
TPSA38.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[3-[1-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium-2-yl]phenyl] N,N-dimethylcarbamate chloride
CID 146109845
[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
CID 46889659
[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
CID 46889708
dimethylamino 1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-5-carboxylate iodide
CID 155819400
[4-(dimethylcarbamoyloxy)-2-phenylphenyl]-trimethylazanium iodide
CID 24833369
(1,2-dimethylimidazo[1,2-a]pyridin-4-ium-7-yl) N,N-dimethylcarbamate
CID 852447
[1-(2-hydroxyethyl)pyridin-1-ium-3-yl] N,N-dimethylcarbamate chloride
CID 3052949
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 140705537
(1-benzylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide
CID 11481
[4-[methyl-(1-methylpyridin-1-ium-2-yl)amino]phenyl] N,N-dimethylcarbamate
CID 3051447
[4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate
CID 5471256

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride?
The IUPAC name of (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride (CID 146109848) is (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride.
What is the SMILES notation for (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride?
The canonical SMILES for (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride is CN(C)C(=O)Oc1ccc2n(C)c(-c3ccccc3)c[n+]2c1.[Cl-].
What is the InChIKey of (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride?
The InChIKey is YUCCKZQPIGYZLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N3O2.ClH/c1-18(2)17(21)22-14-9-10-16-19(3)15(12-20(16)11-14)13-7-5-4-6-8-13;/h4-12H,1-3H3;1H/q+1;/p-1.
What are the key properties of (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride?
(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride has a molecular weight of 331.80 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride is sourced from PubChem (CID 146109848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).