1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole

C38H32N4O — CID 73292574

IUPAC1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole
SMILESC=CCC(COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C38H32N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h2-12,14-25,31H,1,13,26-27H2
InChIKeyVETKHSOXOHNPCG-UHFFFAOYSA-N
MW560.70 g/mol
LogP8.96
Rot. Bonds10

About 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole

1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole (PubChem CID 73292574) has the molecular formula C38H32N4O and a molecular weight of 560.70 g/mol. Its IUPAC name is 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole
PubChem CID73292574
Molecular FormulaC38H32N4O
Molecular Weight560.70 g/mol
Exact Mass560.26
IUPAC Name1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole
SMILESC=CCC(COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C38H32N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h2-12,14-25,31H,1,13,26-27H2
InChIKeyVETKHSOXOHNPCG-UHFFFAOYSA-N
XLogP8.96
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
Deltarasin
CID 73292904
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
1-phenyl-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-1,3-benzodiazole
CID 5329412
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
N-(4-ethoxybenzyl)-1-methyl-1H-benzimidazol-2-amine
CID 1090103
2-Methyl-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 790960
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole (CID 73292574) is 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole is C=CCC(COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole?
The InChIKey is VETKHSOXOHNPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h2-12,14-25,31H,1,13,26-27H2.
What are the key properties of 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole?
1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole has a molecular weight of 560.70 g/mol, XLogP of 8.96, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-[2-(2-phenylbenzimidazol-1-yl)pent-4-enoxy]phenyl]benzimidazole is sourced from PubChem (CID 73292574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).