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

C11H12ClN3O — CID 69424393

IUPAC2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol
SMILESOCCNc1c(Cl)ncn1-c1ccccc1
InChIInChI=1S/C11H12ClN3O/c12-10-11(13-6-7-16)15(8-14-10)9-4-2-1-3-5-9/h1-5,8,13,16H,6-7H2
InChIKeyCNRYVIWSIOMPSJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.93
Rot. Bonds4

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

2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol (PubChem CID 69424393) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol
PubChem CID69424393
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol
SMILESOCCNc1c(Cl)ncn1-c1ccccc1
InChIInChI=1S/C11H12ClN3O/c12-10-11(13-6-7-16)15(8-14-10)9-4-2-1-3-5-9/h1-5,8,13,16H,6-7H2
InChIKeyCNRYVIWSIOMPSJ-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol (CID 69424393) is 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol is OCCNc1c(Cl)ncn1-c1ccccc1.
What is the InChIKey of 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol?
The InChIKey is CNRYVIWSIOMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-10-11(13-6-7-16)15(8-14-10)9-4-2-1-3-5-9/h1-5,8,13,16H,6-7H2.
What are the key properties of 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol?
2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol has a molecular weight of 237.69 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-phenylimidazol-4-yl)amino]ethanol is sourced from PubChem (CID 69424393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).