[2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol

C18H12ClFN2OS — CID 68639208

IUPAC[2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1-c1ccc2nc(-c3ccc(Cl)s3)cn2c1
InChIInChI=1S/C18H12ClFN2OS/c19-17-6-5-16(24-17)15-9-22-8-11(4-7-18(22)21-15)12-2-1-3-14(20)13(12)10-23/h1-9,23H,10H2
InChIKeyIVYRSTJOUOARCQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.01
Rot. Bonds3

About [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol

[2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol (PubChem CID 68639208) has the molecular formula C18H12ClFN2OS and a molecular weight of 358.83 g/mol. Its IUPAC name is [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
PubChem CID68639208
Molecular FormulaC18H12ClFN2OS
Molecular Weight358.83 g/mol
Exact Mass358.03
IUPAC Name[2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1-c1ccc2nc(-c3ccc(Cl)s3)cn2c1
InChIInChI=1S/C18H12ClFN2OS/c19-17-6-5-16(24-17)15-9-22-8-11(4-7-18(22)21-15)12-2-1-3-14(20)13(12)10-23/h1-9,23H,10H2
InChIKeyIVYRSTJOUOARCQ-UHFFFAOYSA-N
XLogP5.01
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
The IUPAC name of [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol (CID 68639208) is [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol.
What is the SMILES notation for [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
The canonical SMILES for [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol is OCc1c(F)cccc1-c1ccc2nc(-c3ccc(Cl)s3)cn2c1.
What is the InChIKey of [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
The InChIKey is IVYRSTJOUOARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2OS/c19-17-6-5-16(24-17)15-9-22-8-11(4-7-18(22)21-15)12-2-1-3-14(20)13(12)10-23/h1-9,23H,10H2.
What are the key properties of [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol?
[2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol has a molecular weight of 358.83 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chlorothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol is sourced from PubChem (CID 68639208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).