[4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol

C20H16N4OS — CID 66624396

IUPAC[4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
SMILESCn1c(-c2cn3cc(-c4csc(CO)c4)ccc3n2)nc2ccccc21
InChIInChI=1S/C20H16N4OS/c1-23-18-5-3-2-4-16(18)22-20(23)17-10-24-9-13(6-7-19(24)21-17)14-8-15(11-25)26-12-14/h2-10,12,25H,11H2,1H3
InChIKeyOPQWWDAKQUFARD-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.11
Rot. Bonds3

About [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol

[4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol (PubChem CID 66624396) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
PubChem CID66624396
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name[4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
SMILESCn1c(-c2cn3cc(-c4csc(CO)c4)ccc3n2)nc2ccccc21
InChIInChI=1S/C20H16N4OS/c1-23-18-5-3-2-4-16(18)22-20(23)17-10-24-9-13(6-7-19(24)21-17)14-8-15(11-25)26-12-14/h2-10,12,25H,11H2,1H3
InChIKeyOPQWWDAKQUFARD-UHFFFAOYSA-N
XLogP4.11
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The IUPAC name of [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol (CID 66624396) is [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol is Cn1c(-c2cn3cc(-c4csc(CO)c4)ccc3n2)nc2ccccc21.
What is the InChIKey of [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The InChIKey is OPQWWDAKQUFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-23-18-5-3-2-4-16(18)22-20(23)17-10-24-9-13(6-7-19(24)21-17)14-8-15(11-25)26-12-14/h2-10,12,25H,11H2,1H3.
What are the key properties of [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
[4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol has a molecular weight of 360.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 66624396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).