2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

C22H34N4O — CID 135089466

IUPAC2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol
SMILESCc1cc(CN(CCO)Cc2ncc[nH]2)c(C)c(CN2CCCCC2C)c1
InChIInChI=1S/C22H34N4O/c1-17-12-20(14-25(10-11-27)16-22-23-7-8-24-22)19(3)21(13-17)15-26-9-5-4-6-18(26)2/h7-8,12-13,18,27H,4-6,9-11,14-16H2,1-3H3,(H,23,24)
InChIKeyATLUDYILPWLHBH-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.40
Rot. Bonds8

About 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol (PubChem CID 135089466) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol
PubChem CID135089466
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol
SMILESCc1cc(CN(CCO)Cc2ncc[nH]2)c(C)c(CN2CCCCC2C)c1
InChIInChI=1S/C22H34N4O/c1-17-12-20(14-25(10-11-27)16-22-23-7-8-24-22)19(3)21(13-17)15-26-9-5-4-6-18(26)2/h7-8,12-13,18,27H,4-6,9-11,14-16H2,1-3H3,(H,23,24)
InChIKeyATLUDYILPWLHBH-UHFFFAOYSA-N
XLogP3.40
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol (CID 135089466) is 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol is Cc1cc(CN(CCO)Cc2ncc[nH]2)c(C)c(CN2CCCCC2C)c1.
What is the InChIKey of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol?
The InChIKey is ATLUDYILPWLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-17-12-20(14-25(10-11-27)16-22-23-7-8-24-22)19(3)21(13-17)15-26-9-5-4-6-18(26)2/h7-8,12-13,18,27H,4-6,9-11,14-16H2,1-3H3,(H,23,24).
What are the key properties of 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol?
2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol has a molecular weight of 370.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 135089466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).