5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol

C12H14ClN3O2 — CID 167816344

IUPAC5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol
SMILESOCC(NCc1ccc(Cl)cc1O)c1ncc[nH]1
InChIInChI=1S/C12H14ClN3O2/c13-9-2-1-8(11(18)5-9)6-16-10(7-17)12-14-3-4-15-12/h1-5,10,16-18H,6-7H2,(H,14,15)
InChIKeyZLCYEQIVQYNXHZ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.59
Rot. Bonds5

About 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol

5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol (PubChem CID 167816344) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol
PubChem CID167816344
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol
SMILESOCC(NCc1ccc(Cl)cc1O)c1ncc[nH]1
InChIInChI=1S/C12H14ClN3O2/c13-9-2-1-8(11(18)5-9)6-16-10(7-17)12-14-3-4-15-12/h1-5,10,16-18H,6-7H2,(H,14,15)
InChIKeyZLCYEQIVQYNXHZ-UHFFFAOYSA-N
XLogP1.59
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol?
The IUPAC name of 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol (CID 167816344) is 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol?
The canonical SMILES for 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol is OCC(NCc1ccc(Cl)cc1O)c1ncc[nH]1.
What is the InChIKey of 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol?
The InChIKey is ZLCYEQIVQYNXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-9-2-1-8(11(18)5-9)6-16-10(7-17)12-14-3-4-15-12/h1-5,10,16-18H,6-7H2,(H,14,15).
What are the key properties of 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol?
5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol has a molecular weight of 267.72 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 167816344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).