2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol

C22H28N4O — CID 45174063

IUPAC2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCn1c(CN2CCN(Cc3ccccc3)C(CCO)C2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-24-21-10-6-5-9-20(21)23-22(24)17-25-12-13-26(19(16-25)11-14-27)15-18-7-3-2-4-8-18/h2-10,19,27H,11-17H2,1H3
InChIKeyQOQDPMRVMZPTHK-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.64
Rot. Bonds6

About 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45174063) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45174063
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCn1c(CN2CCN(Cc3ccccc3)C(CCO)C2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-24-21-10-6-5-9-20(21)23-22(24)17-25-12-13-26(19(16-25)11-14-27)15-18-7-3-2-4-8-18/h2-10,19,27H,11-17H2,1H3
InChIKeyQOQDPMRVMZPTHK-UHFFFAOYSA-N
XLogP2.64
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-methylbenzimidazol-2-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45246655
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CID 29021709
2-[(2R)-4-benzyl-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575530
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
2-[(2R)-1-benzyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 92764868
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45251588
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
2-[1-benzyl-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
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2-[(2R)-4-[(1-ethylbenzimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 51908391
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
2-[(2S)-1-benzyl-4-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51634332
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 45174063) is 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol is Cn1c(CN2CCN(Cc3ccccc3)C(CCO)C2)nc2ccccc21.
What is the InChIKey of 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is QOQDPMRVMZPTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24-21-10-6-5-9-20(21)23-22(24)17-25-12-13-26(19(16-25)11-14-27)15-18-7-3-2-4-8-18/h2-10,19,27H,11-17H2,1H3.
What are the key properties of 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 364.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45174063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).