1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide

C26H26N6O2 — CID 24946265

IUPAC1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C26H26N6O2/c33-24(31-16-14-30(15-17-31)21-10-12-27-13-11-21)18-28-26(34)25-29-22-8-4-5-9-23(22)32(25)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,34)
InChIKeyPYWXAEINDPWOMN-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.56
Rot. Bonds6

About 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide

1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide (PubChem CID 24946265) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide
PubChem CID24946265
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C26H26N6O2/c33-24(31-16-14-30(15-17-31)21-10-12-27-13-11-21)18-28-26(34)25-29-22-8-4-5-9-23(22)32(25)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,34)
InChIKeyPYWXAEINDPWOMN-UHFFFAOYSA-N
XLogP2.56
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide (CID 24946265) is 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccncc2)CC1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide?
The InChIKey is PYWXAEINDPWOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c33-24(31-16-14-30(15-17-31)21-10-12-27-13-11-21)18-28-26(34)25-29-22-8-4-5-9-23(22)32(25)19-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,28,34).
What are the key properties of 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide?
1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 24946265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).