1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone

C25H23FN6OS — CID 71678807

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCN(c3scnc3-c3nc4ccccc4[nH]3)CC2)c2ccc(F)cc12
InChIInChI=1S/C25H23FN6OS/c1-16-13-32(21-7-6-17(26)12-18(16)21)14-22(33)30-8-10-31(11-9-30)25-23(27-15-34-25)24-28-19-4-2-3-5-20(19)29-24/h2-7,12-13,15H,8-11,14H2,1H3,(H,28,29)
InChIKeyGGEUVKOZSURLRV-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.44
Rot. Bonds4

About 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone

1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone (PubChem CID 71678807) has the molecular formula C25H23FN6OS and a molecular weight of 474.57 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone
PubChem CID71678807
Molecular FormulaC25H23FN6OS
Molecular Weight474.57 g/mol
Exact Mass474.16
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone
SMILESCc1cn(CC(=O)N2CCN(c3scnc3-c3nc4ccccc4[nH]3)CC2)c2ccc(F)cc12
InChIInChI=1S/C25H23FN6OS/c1-16-13-32(21-7-6-17(26)12-18(16)21)14-22(33)30-8-10-31(11-9-30)25-23(27-15-34-25)24-28-19-4-2-3-5-20(19)29-24/h2-7,12-13,15H,8-11,14H2,1H3,(H,28,29)
InChIKeyGGEUVKOZSURLRV-UHFFFAOYSA-N
XLogP4.44
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone (CID 71678807) is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone is Cc1cn(CC(=O)N2CCN(c3scnc3-c3nc4ccccc4[nH]3)CC2)c2ccc(F)cc12.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone?
The InChIKey is GGEUVKOZSURLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6OS/c1-16-13-32(21-7-6-17(26)12-18(16)21)14-22(33)30-8-10-31(11-9-30)25-23(27-15-34-25)24-28-19-4-2-3-5-20(19)29-24/h2-7,12-13,15H,8-11,14H2,1H3,(H,28,29).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone?
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone has a molecular weight of 474.57 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(5-fluoro-3-methylindol-1-yl)ethanone is sourced from PubChem (CID 71678807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).