2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide

C26H29N7O2 — CID 59548753

IUPAC2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3nc4ccccc4n3C)CC2)n1
InChIInChI=1S/C26H29N7O2/c1-18-16-19(2)33(29-18)17-24(34)32-14-12-31(13-15-32)22-10-6-4-8-20(22)25(35)28-26-27-21-9-5-7-11-23(21)30(26)3/h4-11,16H,12-15,17H2,1-3H3,(H,27,28,35)
InChIKeyWIAJBPJVCAGHEM-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.99
Rot. Bonds5

About 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide

2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide (PubChem CID 59548753) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide
PubChem CID59548753
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3nc4ccccc4n3C)CC2)n1
InChIInChI=1S/C26H29N7O2/c1-18-16-19(2)33(29-18)17-24(34)32-14-12-31(13-15-32)22-10-6-4-8-20(22)25(35)28-26-27-21-9-5-7-11-23(21)30(26)3/h4-11,16H,12-15,17H2,1-3H3,(H,27,28,35)
InChIKeyWIAJBPJVCAGHEM-UHFFFAOYSA-N
XLogP2.99
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
CID 59548758
N-(3-tert-butyl-1,2-thiazol-5-yl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
CID 59548764
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 90778470
N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
CID 59564405
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27007991
3-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-N-methylbenzamide
CID 59564347
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
N-[5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]pyrimidin-2-yl]propanamide
CID 90309892
1-[4-[2-(1,3-benzothiazol-5-yl)phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 68762857
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(5-phenylthiophen-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59564554
2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548921
1-[4-[2-[4-(dimethylaminosulfanyl)phenyl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 91567556

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide?
The IUPAC name of 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide (CID 59548753) is 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3nc4ccccc4n3C)CC2)n1.
What is the InChIKey of 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide?
The InChIKey is WIAJBPJVCAGHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-18-16-19(2)33(29-18)17-24(34)32-14-12-31(13-15-32)22-10-6-4-8-20(22)25(35)28-26-27-21-9-5-7-11-23(21)30(26)3/h4-11,16H,12-15,17H2,1-3H3,(H,27,28,35).
What are the key properties of 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide?
2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide has a molecular weight of 471.57 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 59548753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).