2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide

C26H26N6O3 — CID 59548921

IUPAC2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
SMILESCn1c(=O)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C26H26N6O3/c1-29-22-8-4-5-9-23(22)32(26(29)35)18-24(33)31-16-14-30(15-17-31)21-7-3-2-6-20(21)25(34)28-19-10-12-27-13-11-19/h2-13H,14-18H2,1H3,(H,27,28,34)
InChIKeyFNXOMTLZZVODFG-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.34
Rot. Bonds5

About 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide

2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide (PubChem CID 59548921) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
PubChem CID59548921
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
SMILESCn1c(=O)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)c2ccccc21
InChIInChI=1S/C26H26N6O3/c1-29-22-8-4-5-9-23(22)32(26(29)35)18-24(33)31-16-14-30(15-17-31)21-7-3-2-6-20(21)25(34)28-19-10-12-27-13-11-19/h2-13H,14-18H2,1H3,(H,27,28,34)
InChIKeyFNXOMTLZZVODFG-UHFFFAOYSA-N
XLogP2.34
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide (CID 59548921) is 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide is Cn1c(=O)n(CC(=O)N2CCN(c3ccccc3C(=O)Nc3ccncc3)CC2)c2ccccc21.
What is the InChIKey of 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide?
The InChIKey is FNXOMTLZZVODFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-29-22-8-4-5-9-23(22)32(26(29)35)18-24(33)31-16-14-30(15-17-31)21-7-3-2-6-20(21)25(34)28-19-10-12-27-13-11-19/h2-13H,14-18H2,1H3,(H,27,28,34).
What are the key properties of 2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide?
2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide has a molecular weight of 470.53 g/mol, XLogP of 2.34, 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-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 59548921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).