6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole

C20H24N4O — CID 10065601

IUPAC6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C20H24N4O/c1-25-20-5-3-2-4-19(20)24-12-10-23(11-13-24)9-8-16-6-7-17-18(14-16)22-15-21-17/h2-7,14-15H,8-13H2,1H3,(H,21,22)
InChIKeyMABBJSRQVWEFLK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.94
Rot. Bonds5

About 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole

6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole (PubChem CID 10065601) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole
PubChem CID10065601
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C20H24N4O/c1-25-20-5-3-2-4-19(20)24-12-10-23(11-13-24)9-8-16-6-7-17-18(14-16)22-15-21-17/h2-7,14-15H,8-13H2,1H3,(H,21,22)
InChIKeyMABBJSRQVWEFLK-UHFFFAOYSA-N
XLogP2.94
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
The IUPAC name of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole (CID 10065601) is 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
The canonical SMILES for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole is COc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
The InChIKey is MABBJSRQVWEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-25-20-5-3-2-4-19(20)24-12-10-23(11-13-24)9-8-16-6-7-17-18(14-16)22-15-21-17/h2-7,14-15H,8-13H2,1H3,(H,21,22).
What are the key properties of 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole has a molecular weight of 336.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 10065601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).