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

C14H10ClN3O — CID 22256705

IUPAC2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol
SMILESOc1cc(-c2nc[nH]c2-c2ccncc2)ccc1Cl
InChIInChI=1S/C14H10ClN3O/c15-11-2-1-10(7-12(11)19)14-13(17-8-18-14)9-3-5-16-6-4-9/h1-8,19H,(H,17,18)
InChIKeyZMJGBZMGACHTLA-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.50
Rot. Bonds2

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

2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol (PubChem CID 22256705) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol.

Molecular Properties

Compound Name2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol
PubChem CID22256705
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol
SMILESOc1cc(-c2nc[nH]c2-c2ccncc2)ccc1Cl
InChIInChI=1S/C14H10ClN3O/c15-11-2-1-10(7-12(11)19)14-13(17-8-18-14)9-3-5-16-6-4-9/h1-8,19H,(H,17,18)
InChIKeyZMJGBZMGACHTLA-UHFFFAOYSA-N
XLogP3.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The IUPAC name of 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol (CID 22256705) is 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol.
What is the SMILES notation for 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The canonical SMILES for 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol is Oc1cc(-c2nc[nH]c2-c2ccncc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
The InChIKey is ZMJGBZMGACHTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-2-1-10(7-12(11)19)14-13(17-8-18-14)9-3-5-16-6-4-9/h1-8,19H,(H,17,18).
What are the key properties of 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol?
2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol has a molecular weight of 271.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-pyridin-4-yl-1H-imidazol-4-yl)phenol is sourced from PubChem (CID 22256705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).