[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C16H16ClN3 — CID 82342843

IUPAC[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCCc1ccc(-c2nc3cccc(Cl)n3c2CN)cc1
InChIInChI=1S/C16H16ClN3/c1-2-11-6-8-12(9-7-11)16-13(10-18)20-14(17)4-3-5-15(20)19-16/h3-9H,2,10,18H2,1H3
InChIKeyBAMAUVCNNVODFK-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.68
Rot. Bonds3

About [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 82342843) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID82342843
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCCc1ccc(-c2nc3cccc(Cl)n3c2CN)cc1
InChIInChI=1S/C16H16ClN3/c1-2-11-6-8-12(9-7-11)16-13(10-18)20-14(17)4-3-5-15(20)19-16/h3-9H,2,10,18H2,1H3
InChIKeyBAMAUVCNNVODFK-UHFFFAOYSA-N
XLogP3.68
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342842
[6-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199144
[2-(3,4-dichlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199318
[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199340
[2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82223384
[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
CID 82343032
[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199222
[6-(4-ethylphenyl)-2-phenylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 82367601
[2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82120368
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
1-(3-chlorophenyl)-N-[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]methanamine
CID 20956376
[2-(4-ethylphenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021086

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 82342843) is [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is CCc1ccc(-c2nc3cccc(Cl)n3c2CN)cc1.
What is the InChIKey of [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is BAMAUVCNNVODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-2-11-6-8-12(9-7-11)16-13(10-18)20-14(17)4-3-5-15(20)19-16/h3-9H,2,10,18H2,1H3.
What are the key properties of [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 285.78 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 82342843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).