2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

C25H26N4 — CID 10762475

IUPAC2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
InChIInChI=1S/C25H26N4/c1-3-7-21(8-4-1)25-26-23-12-11-20(19-24(23)27-25)13-14-28-15-17-29(18-16-28)22-9-5-2-6-10-22/h1-12,19H,13-18H2,(H,26,27)
InChIKeyLCOXKZYCBKEFQL-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.59
Rot. Bonds5

About 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 10762475) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
PubChem CID10762475
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESc1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
InChIInChI=1S/C25H26N4/c1-3-7-21(8-4-1)25-26-23-12-11-20(19-24(23)27-25)13-14-28-15-17-29(18-16-28)22-9-5-2-6-10-22/h1-12,19H,13-18H2,(H,26,27)
InChIKeyLCOXKZYCBKEFQL-UHFFFAOYSA-N
XLogP4.59
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole (CID 10762475) is 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole is c1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1.
What is the InChIKey of 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is LCOXKZYCBKEFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-3-7-21(8-4-1)25-26-23-12-11-20(19-24(23)27-25)13-14-28-15-17-29(18-16-28)22-9-5-2-6-10-22/h1-12,19H,13-18H2,(H,26,27).
What are the key properties of 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole?
2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 382.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 10762475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).