2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol

C17H25N3O — CID 63024568

IUPAC2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN(C)Cc2nccn2C)c(C)c1
InChIInChI=1S/C17H25N3O/c1-12-8-13(2)17(14(3)9-12)15(21)10-19(4)11-16-18-6-7-20(16)5/h6-9,15,21H,10-11H2,1-5H3
InChIKeyUUGOFBLBAABMCM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.51
Rot. Bonds5

About 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 63024568) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID63024568
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CN(C)Cc2nccn2C)c(C)c1
InChIInChI=1S/C17H25N3O/c1-12-8-13(2)17(14(3)9-12)15(21)10-19(4)11-16-18-6-7-20(16)5/h6-9,15,21H,10-11H2,1-5H3
InChIKeyUUGOFBLBAABMCM-UHFFFAOYSA-N
XLogP2.51
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol (CID 63024568) is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CN(C)Cc2nccn2C)c(C)c1.
What is the InChIKey of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is UUGOFBLBAABMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-8-13(2)17(14(3)9-12)15(21)10-19(4)11-16-18-6-7-20(16)5/h6-9,15,21H,10-11H2,1-5H3.
What are the key properties of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol?
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 287.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 63024568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).