2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol

C21H20N2OS — CID 58763562

IUPAC2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(O)c2cccs2)cc1
InChIInChI=1S/C21H20N2OS/c1-14-5-8-16(9-6-14)21-17(12-18(24)19-4-3-11-25-19)23-13-15(2)7-10-20(23)22-21/h3-11,13,18,24H,12H2,1-2H3
InChIKeyCRPCAXPGKIDBKH-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.96
Rot. Bonds4

About 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol (PubChem CID 58763562) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol
PubChem CID58763562
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(O)c2cccs2)cc1
InChIInChI=1S/C21H20N2OS/c1-14-5-8-16(9-6-14)21-17(12-18(24)19-4-3-11-25-19)23-13-15(2)7-10-20(23)22-21/h3-11,13,18,24H,12H2,1-2H3
InChIKeyCRPCAXPGKIDBKH-UHFFFAOYSA-N
XLogP4.96
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol (CID 58763562) is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol is Cc1ccc(-c2nc3ccc(C)cn3c2CC(O)c2cccs2)cc1.
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol?
The InChIKey is CRPCAXPGKIDBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-14-5-8-16(9-6-14)21-17(12-18(24)19-4-3-11-25-19)23-13-15(2)7-10-20(23)22-21/h3-11,13,18,24H,12H2,1-2H3.
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol?
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol has a molecular weight of 348.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-1-thiophen-2-ylethanol is sourced from PubChem (CID 58763562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).