1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol

C13H16ClN3O — CID 117418489

IUPAC1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(-n2ccnc2C)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-9-16-5-6-17(9)12-4-3-10(7-11(12)14)13(18)8-15-2/h3-7,13,15,18H,8H2,1-2H3
InChIKeyIQNSDDRKULLYLC-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.09
Rot. Bonds4

About 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol

1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol (PubChem CID 117418489) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol
PubChem CID117418489
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(-n2ccnc2C)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-9-16-5-6-17(9)12-4-3-10(7-11(12)14)13(18)8-15-2/h3-7,13,15,18H,8H2,1-2H3
InChIKeyIQNSDDRKULLYLC-UHFFFAOYSA-N
XLogP2.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol (CID 117418489) is 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(-n2ccnc2C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol?
The InChIKey is IQNSDDRKULLYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9-16-5-6-17(9)12-4-3-10(7-11(12)14)13(18)8-15-2/h3-7,13,15,18H,8H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol?
1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol has a molecular weight of 265.74 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117418489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).