2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol

C8H14ClN3O2 — CID 69423542

IUPAC2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol
SMILESCc1nc(Cl)c(NCCO)n1CCO
InChIInChI=1S/C8H14ClN3O2/c1-6-11-7(9)8(10-2-4-13)12(6)3-5-14/h10,13-14H,2-5H2,1H3
InChIKeyNSIBXHVWUYPRNX-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.24
Rot. Bonds5

About 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol

2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol (PubChem CID 69423542) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol
PubChem CID69423542
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol
SMILESCc1nc(Cl)c(NCCO)n1CCO
InChIInChI=1S/C8H14ClN3O2/c1-6-11-7(9)8(10-2-4-13)12(6)3-5-14/h10,13-14H,2-5H2,1H3
InChIKeyNSIBXHVWUYPRNX-UHFFFAOYSA-N
XLogP0.24
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol (CID 69423542) is 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol is Cc1nc(Cl)c(NCCO)n1CCO.
What is the InChIKey of 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol?
The InChIKey is NSIBXHVWUYPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O2/c1-6-11-7(9)8(10-2-4-13)12(6)3-5-14/h10,13-14H,2-5H2,1H3.
What are the key properties of 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol?
2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol has a molecular weight of 219.67 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-3-(2-hydroxyethyl)-2-methylimidazol-4-yl]amino]ethanol is sourced from PubChem (CID 69423542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).