2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol

C14H26N4O — CID 91830674

IUPAC2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol
SMILESCC(CN(CCO)Cc1nccn1C)N1CCCC1
InChIInChI=1S/C14H26N4O/c1-13(18-6-3-4-7-18)11-17(9-10-19)12-14-15-5-8-16(14)2/h5,8,13,19H,3-4,6-7,9-12H2,1-2H3
InChIKeySISVKROVWLGPFH-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.70
Rot. Bonds7

About 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol

2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol (PubChem CID 91830674) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol
PubChem CID91830674
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol
SMILESCC(CN(CCO)Cc1nccn1C)N1CCCC1
InChIInChI=1S/C14H26N4O/c1-13(18-6-3-4-7-18)11-17(9-10-19)12-14-15-5-8-16(14)2/h5,8,13,19H,3-4,6-7,9-12H2,1-2H3
InChIKeySISVKROVWLGPFH-UHFFFAOYSA-N
XLogP0.70
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol (CID 91830674) is 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol is CC(CN(CCO)Cc1nccn1C)N1CCCC1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol?
The InChIKey is SISVKROVWLGPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(18-6-3-4-7-18)11-17(9-10-19)12-14-15-5-8-16(14)2/h5,8,13,19H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol?
2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol has a molecular weight of 266.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-(2-pyrrolidin-1-ylpropyl)amino]ethanol is sourced from PubChem (CID 91830674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).