2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

C12H19N5O — CID 91828655

IUPAC2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
SMILESCc1[nH]cnc1CN(CCO)Cc1nccn1C
InChIInChI=1S/C12H19N5O/c1-10-11(15-9-14-10)7-17(5-6-18)8-12-13-3-4-16(12)2/h3-4,9,18H,5-8H2,1-2H3,(H,14,15)
InChIKeyACSBTBWZNXCSJZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.45
Rot. Bonds6

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

2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (PubChem CID 91828655) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
PubChem CID91828655
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
SMILESCc1[nH]cnc1CN(CCO)Cc1nccn1C
InChIInChI=1S/C12H19N5O/c1-10-11(15-9-14-10)7-17(5-6-18)8-12-13-3-4-16(12)2/h3-4,9,18H,5-8H2,1-2H3,(H,14,15)
InChIKeyACSBTBWZNXCSJZ-UHFFFAOYSA-N
XLogP0.45
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (CID 91828655) is 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is Cc1[nH]cnc1CN(CCO)Cc1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The InChIKey is ACSBTBWZNXCSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-10-11(15-9-14-10)7-17(5-6-18)8-12-13-3-4-16(12)2/h3-4,9,18H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol has a molecular weight of 249.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 91828655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).