[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide

C16H16IN3O2 — CID 46889708

IUPAC[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
SMILESCNC(=O)Oc1ccc(-c2c[n+]3ccccc3n2C)cc1.[I-]
InChIInChI=1S/C16H15N3O2.HI/c1-17-16(20)21-13-8-6-12(7-9-13)14-11-19-10-4-3-5-15(19)18(14)2;/h3-11H,1-2H3;1H
InChIKeyIUBSRCGCFIHPDD-UHFFFAOYSA-N
MW409.23 g/mol
LogP-0.85
Rot. Bonds2

About [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide

[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide (PubChem CID 46889708) has the molecular formula C16H16IN3O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide.

Molecular Properties

Compound Name[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
PubChem CID46889708
Molecular FormulaC16H16IN3O2
Molecular Weight409.23 g/mol
Exact Mass409.03
IUPAC Name[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide
SMILESCNC(=O)Oc1ccc(-c2c[n+]3ccccc3n2C)cc1.[I-]
InChIInChI=1S/C16H15N3O2.HI/c1-17-16(20)21-13-8-6-12(7-9-13)14-11-19-10-4-3-5-15(19)18(14)2;/h3-11H,1-2H3;1H
InChIKeyIUBSRCGCFIHPDD-UHFFFAOYSA-N
XLogP-0.85
TPSA47.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride
CID 146109848
2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
CID 6076678
[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate
CID 91138505
2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide
CID 21178993
[4-(5-formamido-1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N,N-dimethylcarbamate
CID 46889659
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
[4-(5-methylidenedithiol-3-yl)phenyl] N-methylcarbamate
CID 143334800
2-phenyl-1-[6-(2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]imidazo[1,2-a]pyridin-4-ium diperchlorate
CID 15588602
dimethylamino 1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-5-carboxylate iodide
CID 155819400
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910
[4-(carbamoylamino)phenyl] N-methylcarbamate
CID 134123032

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide?
The IUPAC name of [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide (CID 46889708) is [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide.
What is the SMILES notation for [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide?
The canonical SMILES for [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide is CNC(=O)Oc1ccc(-c2c[n+]3ccccc3n2C)cc1.[I-].
What is the InChIKey of [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide?
The InChIKey is IUBSRCGCFIHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2.HI/c1-17-16(20)21-13-8-6-12(7-9-13)14-11-19-10-4-3-5-15(19)18(14)2;/h3-11H,1-2H3;1H.
What are the key properties of [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide?
[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide has a molecular weight of 409.23 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl] N-methylcarbamate iodide is sourced from PubChem (CID 46889708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).