2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole

C24H26N4 — CID 14072508

IUPAC2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
SMILESCc1nc2ccc3ccccc3c2n1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4/c1-19-25-23-12-11-20-7-5-6-10-22(20)24(23)28(19)18-15-26-13-16-27(17-14-26)21-8-3-2-4-9-21/h2-12H,13-18H2,1H3
InChIKeyQXQAVZGHSWWNJM-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.32
Rot. Bonds4

About 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole

2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole (PubChem CID 14072508) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
PubChem CID14072508
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
SMILESCc1nc2ccc3ccccc3c2n1CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4/c1-19-25-23-12-11-20-7-5-6-10-22(20)24(23)28(19)18-15-26-13-16-27(17-14-26)21-8-3-2-4-9-21/h2-12H,13-18H2,1H3
InChIKeyQXQAVZGHSWWNJM-UHFFFAOYSA-N
XLogP4.32
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole?
The IUPAC name of 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole (CID 14072508) is 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole.
What is the SMILES notation for 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole?
The canonical SMILES for 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole is Cc1nc2ccc3ccccc3c2n1CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole?
The InChIKey is QXQAVZGHSWWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-19-25-23-12-11-20-7-5-6-10-22(20)24(23)28(19)18-15-26-13-16-27(17-14-26)21-8-3-2-4-9-21/h2-12H,13-18H2,1H3.
What are the key properties of 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole?
2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole has a molecular weight of 370.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole is sourced from PubChem (CID 14072508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).