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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Related Compounds

2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548845
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide
CID 59548753
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
1-[2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 78850315
4-hydroxy-1-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119250768
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18141663
N-(2-ethylphenyl)-2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55507108
2-[4-(2-formamidoacetyl)piperazin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
CID 87481327
2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55495817

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).