5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol

C20H14N4OS — CID 155519527

IUPAC5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol
SMILESOc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c2cccnc12
InChIInChI=1S/C20H14N4OS/c25-18-8-7-13(14-4-3-9-21-19(14)18)10-24-17-6-2-1-5-15(17)23-20(24)16-11-26-12-22-16/h1-9,11-12,25H,10H2
InChIKeyNTOUCWZDJVFSIO-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.46
Rot. Bonds3

About 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol

5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol (PubChem CID 155519527) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol
PubChem CID155519527
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol
SMILESOc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c2cccnc12
InChIInChI=1S/C20H14N4OS/c25-18-8-7-13(14-4-3-9-21-19(14)18)10-24-17-6-2-1-5-15(17)23-20(24)16-11-26-12-22-16/h1-9,11-12,25H,10H2
InChIKeyNTOUCWZDJVFSIO-UHFFFAOYSA-N
XLogP4.46
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 176605767
CID 176605767
CID 4107560
CID 4107560
CID 5169618
CID 5169618
CID 170453974
CID 170453974
CID 170454018
CID 170454018
CID 170454032
CID 170454032
CID 170454042
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CID 129832623
CID 129832623

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol (CID 155519527) is 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol is Oc1ccc(Cn2c(-c3cscn3)nc3ccccc32)c2cccnc12.
What is the InChIKey of 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol?
The InChIKey is NTOUCWZDJVFSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c25-18-8-7-13(14-4-3-9-21-19(14)18)10-24-17-6-2-1-5-15(17)23-20(24)16-11-26-12-22-16/h1-9,11-12,25H,10H2.
What are the key properties of 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol?
5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol has a molecular weight of 358.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 155519527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).