2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole

C27H30N4O — CID 10812367

IUPAC2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESc1ccc(C(OCCN2CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)32-20-19-30-15-17-31(18-16-30)21-26-28-24-13-7-8-14-25(24)29-26/h1-14,27H,15-21H2,(H,28,29)
InChIKeyOEZCOSKUDWILTK-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.49
Rot. Bonds8

About 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole

2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 10812367) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID10812367
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole
SMILESc1ccc(C(OCCN2CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H30N4O/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)32-20-19-30-15-17-31(18-16-30)21-26-28-24-13-7-8-14-25(24)29-26/h1-14,27H,15-21H2,(H,28,29)
InChIKeyOEZCOSKUDWILTK-UHFFFAOYSA-N
XLogP4.49
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole (CID 10812367) is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole is c1ccc(C(OCCN2CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is OEZCOSKUDWILTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)32-20-19-30-15-17-31(18-16-30)21-26-28-24-13-7-8-14-25(24)29-26/h1-14,27H,15-21H2,(H,28,29).
What are the key properties of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole?
2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 426.56 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 10812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).