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

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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).