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

C22H21N5OS — CID 90609927

IUPAC[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(C1CCCN(c2nc3ccccc3s2)C1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C22H21N5OS/c28-20(27-13-12-26-18-9-3-1-7-16(18)23-21(26)27)15-6-5-11-25(14-15)22-24-17-8-2-4-10-19(17)29-22/h1-4,7-10,15H,5-6,11-14H2
InChIKeyHSYPUOVVQLPGFS-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.91
Rot. Bonds2

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

[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (PubChem CID 90609927) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
PubChem CID90609927
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
SMILESO=C(C1CCCN(c2nc3ccccc3s2)C1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C22H21N5OS/c28-20(27-13-12-26-18-9-3-1-7-16(18)23-21(26)27)15-6-5-11-25(14-15)22-24-17-8-2-4-10-19(17)29-22/h1-4,7-10,15H,5-6,11-14H2
InChIKeyHSYPUOVVQLPGFS-UHFFFAOYSA-N
XLogP3.91
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 90603946
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 90610083
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 90610065
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936
(3R)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950753
(3S)-N-(2-benzamidoethyl)-1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 51950754
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
1-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 90609956
(3S)-1-(1,3-benzothiazol-2-yl)-N-[3-(cyclopropanecarbonylamino)phenyl]piperidine-3-carboxamide
CID 51950778
1-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 90610044

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone (CID 90609927) is [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is O=C(C1CCCN(c2nc3ccccc3s2)C1)N1CCn2c1nc1ccccc12.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
The InChIKey is HSYPUOVVQLPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c28-20(27-13-12-26-18-9-3-1-7-16(18)23-21(26)27)15-6-5-11-25(14-15)22-24-17-8-2-4-10-19(17)29-22/h1-4,7-10,15H,5-6,11-14H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone?
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone has a molecular weight of 403.51 g/mol, XLogP of 3.91, 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)piperidin-3-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone is sourced from PubChem (CID 90609927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).