2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole

C21H26N4O — CID 120753952

IUPAC2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole
SMILESCOc1ccccc1C1CNCCN1CCc1nc2ccccc2n1C
InChIInChI=1S/C21H26N4O/c1-24-18-9-5-4-8-17(18)23-21(24)11-13-25-14-12-22-15-19(25)16-7-3-6-10-20(16)26-2/h3-10,19,22H,11-15H2,1-2H3
InChIKeyAZHSVHLUVFEZSM-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole

2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole (PubChem CID 120753952) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole
PubChem CID120753952
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole
SMILESCOc1ccccc1C1CNCCN1CCc1nc2ccccc2n1C
InChIInChI=1S/C21H26N4O/c1-24-18-9-5-4-8-17(18)23-21(24)11-13-25-14-12-22-15-19(25)16-7-3-6-10-20(16)26-2/h3-10,19,22H,11-15H2,1-2H3
InChIKeyAZHSVHLUVFEZSM-UHFFFAOYSA-N
XLogP2.77
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole 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

1-(2-methoxyethyl)-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753905
1-[2-(2-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753829
1-but-3-enyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753931
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
2-(2-methoxyphenyl)-1-(2-propan-2-ylsulfonylethyl)piperazine;hydrochloride
CID 120753314
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole;hydrochloride
CID 120753624
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole?
The IUPAC name of 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole (CID 120753952) is 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole is COc1ccccc1C1CNCCN1CCc1nc2ccccc2n1C.
What is the InChIKey of 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole?
The InChIKey is AZHSVHLUVFEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-18-9-5-4-8-17(18)23-21(24)11-13-25-14-12-22-15-19(25)16-7-3-6-10-20(16)26-2/h3-10,19,22H,11-15H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole?
2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole has a molecular weight of 350.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazole is sourced from PubChem (CID 120753952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).