2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol

C6H10ClN3O — CID 134859864

IUPAC2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol
SMILESCn1c(C(N)CO)cnc1Cl
InChIInChI=1S/C6H10ClN3O/c1-10-5(4(8)3-11)2-9-6(10)7/h2,4,11H,3,8H2,1H3
InChIKeyJUFRGSBHSXZQBH-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.07
Rot. Bonds2

About 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol

2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol (PubChem CID 134859864) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol
PubChem CID134859864
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol
SMILESCn1c(C(N)CO)cnc1Cl
InChIInChI=1S/C6H10ClN3O/c1-10-5(4(8)3-11)2-9-6(10)7/h2,4,11H,3,8H2,1H3
InChIKeyJUFRGSBHSXZQBH-UHFFFAOYSA-N
XLogP0.07
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol (CID 134859864) is 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol is Cn1c(C(N)CO)cnc1Cl.
What is the InChIKey of 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol?
The InChIKey is JUFRGSBHSXZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O/c1-10-5(4(8)3-11)2-9-6(10)7/h2,4,11H,3,8H2,1H3.
What are the key properties of 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol?
2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol has a molecular weight of 175.62 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 134859864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).