3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one

C22H20N8O2S — CID 71678463

IUPAC3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)[nH]c2cccnc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H20N8O2S/c31-17(12-30-20-16(27-22(30)32)6-3-7-23-20)28-8-10-29(11-9-28)21-18(24-13-33-21)19-25-14-4-1-2-5-15(14)26-19/h1-7,13H,8-12H2,(H,25,26)(H,27,32)
InChIKeyBYSUWLKUBDZCHP-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.07
Rot. Bonds4

About 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one

3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 71678463) has the molecular formula C22H20N8O2S and a molecular weight of 460.52 g/mol. Its IUPAC name is 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID71678463
Molecular FormulaC22H20N8O2S
Molecular Weight460.52 g/mol
Exact Mass460.14
IUPAC Name3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(Cn1c(=O)[nH]c2cccnc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H20N8O2S/c31-17(12-30-20-16(27-22(30)32)6-3-7-23-20)28-8-10-29(11-9-28)21-18(24-13-33-21)19-25-14-4-1-2-5-15(14)26-19/h1-7,13H,8-12H2,(H,25,26)(H,27,32)
InChIKeyBYSUWLKUBDZCHP-UHFFFAOYSA-N
XLogP2.07
TPSA115.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one (CID 71678463) is 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one is O=C(Cn1c(=O)[nH]c2cccnc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BYSUWLKUBDZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2S/c31-17(12-30-20-16(27-22(30)32)6-3-7-23-20)28-8-10-29(11-9-28)21-18(24-13-33-21)19-25-14-4-1-2-5-15(14)26-19/h1-7,13H,8-12H2,(H,25,26)(H,27,32).
What are the key properties of 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one?
3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 460.52 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71678463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).