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

C24H23N7OS — CID 71680138

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1CC(=O)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N7OS/c1-16-26-19-8-4-5-9-20(19)31(16)14-21(32)29-10-12-30(13-11-29)24-22(25-15-33-24)23-27-17-6-2-3-7-18(17)28-23/h2-9,15H,10-14H2,1H3,(H,27,28)
InChIKeyMPXZBKLCVKNLDM-UHFFFAOYSA-N
MW457.56 g/mol
LogP3.69
Rot. Bonds4

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

1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (PubChem CID 71680138) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
PubChem CID71680138
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1CC(=O)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C24H23N7OS/c1-16-26-19-8-4-5-9-20(19)31(16)14-21(32)29-10-12-30(13-11-29)24-22(25-15-33-24)23-27-17-6-2-3-7-18(17)28-23/h2-9,15H,10-14H2,1H3,(H,27,28)
InChIKeyMPXZBKLCVKNLDM-UHFFFAOYSA-N
XLogP3.69
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-methylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (CID 71680138) is 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-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-(2-methylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is Cc1nc2ccccc2n1CC(=O)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The InChIKey is MPXZBKLCVKNLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-16-26-19-8-4-5-9-20(19)31(16)14-21(32)29-10-12-30(13-11-29)24-22(25-15-33-24)23-27-17-6-2-3-7-18(17)28-23/h2-9,15H,10-14H2,1H3,(H,27,28).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone has a molecular weight of 457.56 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 71680138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).