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

C16H24N4O — CID 23723742

IUPAC2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2nc3ccccc3n2C)CC1CCO
InChIInChI=1S/C16H24N4O/c1-18-8-9-20(11-13(18)7-10-21)12-16-17-14-5-3-4-6-15(14)19(16)2/h3-6,13,21H,7-12H2,1-2H3
InChIKeyXBSUIYIXOHIMJJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.07
Rot. Bonds4

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

2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723742) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23723742
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCN1CCN(Cc2nc3ccccc3n2C)CC1CCO
InChIInChI=1S/C16H24N4O/c1-18-8-9-20(11-13(18)7-10-21)12-16-17-14-5-3-4-6-15(14)19(16)2/h3-6,13,21H,7-12H2,1-2H3
InChIKeyXBSUIYIXOHIMJJ-UHFFFAOYSA-N
XLogP1.07
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 23723742) is 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol is CN1CCN(Cc2nc3ccccc3n2C)CC1CCO.
What is the InChIKey of 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is XBSUIYIXOHIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18-8-9-20(11-13(18)7-10-21)12-16-17-14-5-3-4-6-15(14)19(16)2/h3-6,13,21H,7-12H2,1-2H3.
What are the key properties of 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).