tris(2-ethyl-1-methylimidazol-4-yl)methanol

C19H28N6O — CID 91150698

IUPACtris(2-ethyl-1-methylimidazol-4-yl)methanol
SMILESCCc1nc(C(O)(c2cn(C)c(CC)n2)c2cn(C)c(CC)n2)cn1C
InChIInChI=1S/C19H28N6O/c1-7-16-20-13(10-23(16)4)19(26,14-11-24(5)17(8-2)21-14)15-12-25(6)18(9-3)22-15/h10-12,26H,7-9H2,1-6H3
InChIKeyZAJQQGYAHCRMSP-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.86
Rot. Bonds6

About tris(2-ethyl-1-methylimidazol-4-yl)methanol

tris(2-ethyl-1-methylimidazol-4-yl)methanol (PubChem CID 91150698) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is tris(2-ethyl-1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Nametris(2-ethyl-1-methylimidazol-4-yl)methanol
PubChem CID91150698
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Nametris(2-ethyl-1-methylimidazol-4-yl)methanol
SMILESCCc1nc(C(O)(c2cn(C)c(CC)n2)c2cn(C)c(CC)n2)cn1C
InChIInChI=1S/C19H28N6O/c1-7-16-20-13(10-23(16)4)19(26,14-11-24(5)17(8-2)21-14)15-12-25(6)18(9-3)22-15/h10-12,26H,7-9H2,1-6H3
InChIKeyZAJQQGYAHCRMSP-UHFFFAOYSA-N
XLogP1.86
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tris(2-ethyl-1-methylimidazol-4-yl)methanol?
The IUPAC name of tris(2-ethyl-1-methylimidazol-4-yl)methanol (CID 91150698) is tris(2-ethyl-1-methylimidazol-4-yl)methanol.
What is the SMILES notation for tris(2-ethyl-1-methylimidazol-4-yl)methanol?
The canonical SMILES for tris(2-ethyl-1-methylimidazol-4-yl)methanol is CCc1nc(C(O)(c2cn(C)c(CC)n2)c2cn(C)c(CC)n2)cn1C.
What is the InChIKey of tris(2-ethyl-1-methylimidazol-4-yl)methanol?
The InChIKey is ZAJQQGYAHCRMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-7-16-20-13(10-23(16)4)19(26,14-11-24(5)17(8-2)21-14)15-12-25(6)18(9-3)22-15/h10-12,26H,7-9H2,1-6H3.
What are the key properties of tris(2-ethyl-1-methylimidazol-4-yl)methanol?
tris(2-ethyl-1-methylimidazol-4-yl)methanol has a molecular weight of 356.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethyl-1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 91150698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).