2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol

C14H13Cl2N3OS — CID 111469544

IUPAC2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(CNCc1c(Cl)nc2ccccn12)c1ccc(Cl)s1
InChIInChI=1S/C14H13Cl2N3OS/c15-12-5-4-11(21-12)10(20)8-17-7-9-14(16)18-13-3-1-2-6-19(9)13/h1-6,10,17,20H,7-8H2
InChIKeyNNHXGUXBWGWCJQ-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.53
Rot. Bonds5

About 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol

2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 111469544) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID111469544
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(CNCc1c(Cl)nc2ccccn12)c1ccc(Cl)s1
InChIInChI=1S/C14H13Cl2N3OS/c15-12-5-4-11(21-12)10(20)8-17-7-9-14(16)18-13-3-1-2-6-19(9)13/h1-6,10,17,20H,7-8H2
InChIKeyNNHXGUXBWGWCJQ-UHFFFAOYSA-N
XLogP3.53
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
CID 111469547
N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115591883
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
3-[[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 111467503
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118623
3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 111449659
1,1,1-trifluoro-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 103745198
4-[[[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 111469603
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 61073000
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol (CID 111469544) is 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol is OC(CNCc1c(Cl)nc2ccccn12)c1ccc(Cl)s1.
What is the InChIKey of 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is NNHXGUXBWGWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS/c15-12-5-4-11(21-12)10(20)8-17-7-9-14(16)18-13-3-1-2-6-19(9)13/h1-6,10,17,20H,7-8H2.
What are the key properties of 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol?
2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 342.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 111469544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).