2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

C16H23N3O2 — CID 135120698

IUPAC2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cc1C
InChIInChI=1S/C16H23N3O2/c1-12-8-14(4-5-16(12)21-3)10-19(6-7-20)11-15-9-17-13(2)18-15/h4-5,8-9,20H,6-7,10-11H2,1-3H3,(H,17,18)
InChIKeyNADFXXBZLHLIHZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (PubChem CID 135120698) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
PubChem CID135120698
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cc1C
InChIInChI=1S/C16H23N3O2/c1-12-8-14(4-5-16(12)21-3)10-19(6-7-20)11-15-9-17-13(2)18-15/h4-5,8-9,20H,6-7,10-11H2,1-3H3,(H,17,18)
InChIKeyNADFXXBZLHLIHZ-UHFFFAOYSA-N
XLogP2.03
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (CID 135120698) is 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is COc1ccc(CN(CCO)Cc2cnc(C)[nH]2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
The InChIKey is NADFXXBZLHLIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-8-14(4-5-16(12)21-3)10-19(6-7-20)11-15-9-17-13(2)18-15/h4-5,8-9,20H,6-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?
2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 135120698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).