[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

C20H17N5OS — CID 90603946

IUPAC[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(C1CN(c2nc3ccccc3s2)C1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C20H17N5OS/c26-18(25-10-9-24-16-7-3-1-5-14(16)21-19(24)25)13-11-23(12-13)20-22-15-6-2-4-8-17(15)27-20/h1-8,13H,9-12H2
InChIKeyGTKDLDBTNNYDPG-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.13
Rot. Bonds2

About [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (PubChem CID 90603946) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
PubChem CID90603946
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(C1CN(c2nc3ccccc3s2)C1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C20H17N5OS/c26-18(25-10-9-24-16-7-3-1-5-14(16)21-19(24)25)13-11-23(12-13)20-22-15-6-2-4-8-17(15)27-20/h1-8,13H,9-12H2
InChIKeyGTKDLDBTNNYDPG-UHFFFAOYSA-N
XLogP3.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 90609927
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90604006
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557647
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 90604095
1-[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)piperidin-1-yl]-2-phenoxyethanone
CID 112820521
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
1-(1,3-benzothiazol-2-yl)-N-propylazetidine-3-carboxamide
CID 90603975
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl] acetate
CID 90606752
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 90640278
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (CID 90603946) is [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is O=C(C1CN(c2nc3ccccc3s2)C1)N1CCn2c1nc1ccccc12.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The InChIKey is GTKDLDBTNNYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-18(25-10-9-24-16-7-3-1-5-14(16)21-19(24)25)13-11-23(12-13)20-22-15-6-2-4-8-17(15)27-20/h1-8,13H,9-12H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone has a molecular weight of 375.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is sourced from PubChem (CID 90603946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).