2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole

C25H28N4O — CID 14072498

IUPAC2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
SMILESCOc1ccc(N2CCN(CCc3nc4ccc5ccccc5c4n3C)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-27-24(26-23-12-7-19-5-3-4-6-22(19)25(23)27)13-14-28-15-17-29(18-16-28)20-8-10-21(30-2)11-9-20/h3-12H,13-18H2,1-2H3
InChIKeyFIIPYDDFXZPIHO-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.10
Rot. Bonds5

About 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole

2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole (PubChem CID 14072498) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
PubChem CID14072498
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
SMILESCOc1ccc(N2CCN(CCc3nc4ccc5ccccc5c4n3C)CC2)cc1
InChIInChI=1S/C25H28N4O/c1-27-24(26-23-12-7-19-5-3-4-6-22(19)25(23)27)13-14-28-15-17-29(18-16-28)20-8-10-21(30-2)11-9-20/h3-12H,13-18H2,1-2H3
InChIKeyFIIPYDDFXZPIHO-UHFFFAOYSA-N
XLogP4.10
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
CID 14072508
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-propan-2-ylbenzo[e]benzimidazole;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 3066564
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
CID 71277666
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55382365
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
The IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole (CID 14072498) is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
The canonical SMILES for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole is COc1ccc(N2CCN(CCc3nc4ccc5ccccc5c4n3C)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
The InChIKey is FIIPYDDFXZPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27-24(26-23-12-7-19-5-3-4-6-22(19)25(23)27)13-14-28-15-17-29(18-16-28)20-8-10-21(30-2)11-9-20/h3-12H,13-18H2,1-2H3.
What are the key properties of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole?
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole has a molecular weight of 400.53 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole is sourced from PubChem (CID 14072498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).