4-chloro-2-(1H-imidazol-5-yl)phenol

C9H7ClN2O — CID 55254080

IUPAC4-chloro-2-(1H-imidazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1-c1cnc[nH]1
InChIInChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(3-6)8-4-11-5-12-8/h1-5,13H,(H,11,12)
InChIKeyCUHAKEYVFFILBK-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.44
Rot. Bonds1

About 4-chloro-2-(1H-imidazol-5-yl)phenol

4-chloro-2-(1H-imidazol-5-yl)phenol (PubChem CID 55254080) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-2-(1H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(1H-imidazol-5-yl)phenol
PubChem CID55254080
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-2-(1H-imidazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1-c1cnc[nH]1
InChIInChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(3-6)8-4-11-5-12-8/h1-5,13H,(H,11,12)
InChIKeyCUHAKEYVFFILBK-UHFFFAOYSA-N
XLogP2.44
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1H-imidazol-5-yl)phenol?
The IUPAC name of 4-chloro-2-(1H-imidazol-5-yl)phenol (CID 55254080) is 4-chloro-2-(1H-imidazol-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(1H-imidazol-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(1H-imidazol-5-yl)phenol is Oc1ccc(Cl)cc1-c1cnc[nH]1.
What is the InChIKey of 4-chloro-2-(1H-imidazol-5-yl)phenol?
The InChIKey is CUHAKEYVFFILBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(3-6)8-4-11-5-12-8/h1-5,13H,(H,11,12).
What are the key properties of 4-chloro-2-(1H-imidazol-5-yl)phenol?
4-chloro-2-(1H-imidazol-5-yl)phenol has a molecular weight of 194.62 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1H-imidazol-5-yl)phenol is sourced from PubChem (CID 55254080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).