1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride

C16H16Cl2N2 — CID 134098477

IUPAC1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride
SMILESCc1cc(C)n2cc[n+](Cc3ccccc3Cl)c2c1.[Cl-]
InChIInChI=1S/C16H16ClN2.ClH/c1-12-9-13(2)19-8-7-18(16(19)10-12)11-14-5-3-4-6-15(14)17;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKeyTWLHDGHEQQTSDW-UHFFFAOYSA-M
MW307.22 g/mol
LogP0.55
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride

1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride (PubChem CID 134098477) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride
PubChem CID134098477
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride
SMILESCc1cc(C)n2cc[n+](Cc3ccccc3Cl)c2c1.[Cl-]
InChIInChI=1S/C16H16ClN2.ClH/c1-12-9-13(2)19-8-7-18(16(19)10-12)11-14-5-3-4-6-15(14)17;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKeyTWLHDGHEQQTSDW-UHFFFAOYSA-M
XLogP0.55
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium
CID 3273362
2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium
CID 14716738
4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride
CID 44659341
bis(1-[(2-chlorophenyl)methyl]-8-phenylmethoxyimidazo[1,2-a]pyridin-1-ium);dichloride;hydrate
CID 173446373
3-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 15285472
3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine
CID 512358
1-[[(R)-(2-chlorophenyl)methylsulfinyl]methyl]-3,5-dimethylbenzene
CID 95329943
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
3-[(2-chlorophenyl)methyl]-7-methylimidazo[2,1-f]purine
CID 102337397
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
CID 88515237
CID 88515237
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride (CID 134098477) is 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride is Cc1cc(C)n2cc[n+](Cc3ccccc3Cl)c2c1.[Cl-].
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride?
The InChIKey is TWLHDGHEQQTSDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16ClN2.ClH/c1-12-9-13(2)19-8-7-18(16(19)10-12)11-14-5-3-4-6-15(14)17;/h3-10H,11H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride?
1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride has a molecular weight of 307.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride is sourced from PubChem (CID 134098477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).