2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone

C26H26N4O2 — CID 2998012

IUPAC2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone
SMILESCOc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-22-13-11-21(12-14-22)28-15-17-29(18-16-28)26-27-23-9-5-6-10-24(23)30(26)19-25(31)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyZOAFZBYTZLLJRI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.25
Rot. Bonds6

About 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone

2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone (PubChem CID 2998012) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone
PubChem CID2998012
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone
SMILESCOc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-22-13-11-21(12-14-22)28-15-17-29(18-16-28)26-27-23-9-5-6-10-24(23)30(26)19-25(31)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChIKeyZOAFZBYTZLLJRI-UHFFFAOYSA-N
XLogP4.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone 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

Metodesnitazene
CID 26412
Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
Mchb-1
CID 44561533
[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl]methanone
CID 10917690
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
(2-Methoxyphenyl)-(1-methylbenzimidazol-2-yl)methanone
CID 711821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone (CID 2998012) is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone is COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone?
The InChIKey is ZOAFZBYTZLLJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-22-13-11-21(12-14-22)28-15-17-29(18-16-28)26-27-23-9-5-6-10-24(23)30(26)19-25(31)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3.
What are the key properties of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone?
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone has a molecular weight of 426.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]benzimidazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 2998012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).