7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

C29H17N5OS — CID 126749699

IUPAC7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-c3ccc4nc5sccn5c4c3)n2)c1
InChIInChI=1S/C29H17N5OS/c1-3-18(19-7-9-24-26(16-19)33-11-13-35-28(33)31-24)15-20(4-1)22-5-2-6-23(30-22)21-8-10-25-27(17-21)34-12-14-36-29(34)32-25/h1-17H
InChIKeyCBVNDXIYBBZQBB-UHFFFAOYSA-N
MW483.56 g/mol
LogP7.34
Rot. Bonds3

About 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole

7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749699) has the molecular formula C29H17N5OS and a molecular weight of 483.56 g/mol. Its IUPAC name is 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749699
Molecular FormulaC29H17N5OS
Molecular Weight483.56 g/mol
Exact Mass483.12
IUPAC Name7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-c3ccc4nc5sccn5c4c3)n2)c1
InChIInChI=1S/C29H17N5OS/c1-3-18(19-7-9-24-26(16-19)33-11-13-35-28(33)31-24)15-20(4-1)22-5-2-6-23(30-22)21-8-10-25-27(17-21)34-12-14-36-29(34)32-25/h1-17H
InChIKeyCBVNDXIYBBZQBB-UHFFFAOYSA-N
XLogP7.34
TPSA60.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749699) is 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2ccc3nc4occn4c3c2)cc(-c2cccc(-c3ccc4nc5sccn5c4c3)n2)c1.
What is the InChIKey of 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is CBVNDXIYBBZQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N5OS/c1-3-18(19-7-9-24-26(16-19)33-11-13-35-28(33)31-24)15-20(4-1)22-5-2-6-23(30-22)21-8-10-25-27(17-21)34-12-14-36-29(34)32-25/h1-17H.
What are the key properties of 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole?
7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 483.56 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[6-([1,3]thiazolo[3,2-a]benzimidazol-7-yl)-2-pyridinyl]phenyl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).