4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine

C22H19N5OS — CID 70864424

IUPAC4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESc1cn2cc(-c3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)nc2s1
InChIInChI=1S/C22H19N5OS/c1-4-17(26-7-10-28-11-8-26)5-2-15(1)21-23-18-6-3-16(13-19(18)24-21)20-14-27-9-12-29-22(27)25-20/h1-6,9,12-14H,7-8,10-11H2,(H,23,24)
InChIKeyWTPYDDJTAGOJRS-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.44
Rot. Bonds3

About 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine

4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine (PubChem CID 70864424) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine
PubChem CID70864424
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine
SMILESc1cn2cc(-c3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)nc2s1
InChIInChI=1S/C22H19N5OS/c1-4-17(26-7-10-28-11-8-26)5-2-15(1)21-23-18-6-3-16(13-19(18)24-21)20-14-27-9-12-29-22(27)25-20/h1-6,9,12-14H,7-8,10-11H2,(H,23,24)
InChIKeyWTPYDDJTAGOJRS-UHFFFAOYSA-N
XLogP4.44
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine (CID 70864424) is 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine is c1cn2cc(-c3ccc4nc(-c5ccc(N6CCOCC6)cc5)[nH]c4c3)nc2s1.
What is the InChIKey of 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine?
The InChIKey is WTPYDDJTAGOJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-4-17(26-7-10-28-11-8-26)5-2-15(1)21-23-18-6-3-16(13-19(18)24-21)20-14-27-9-12-29-22(27)25-20/h1-6,9,12-14H,7-8,10-11H2,(H,23,24).
What are the key properties of 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine?
4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine has a molecular weight of 401.50 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-imidazo[2,1-b][1,3]thiazol-6-yl-1H-benzimidazol-2-yl)phenyl]morpholine is sourced from PubChem (CID 70864424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).