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

C20H15Cl2N3O — CID 44533820

IUPAC2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
SMILESCl.Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl
InChIInChI=1S/C20H14ClN3O.ClH/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14;/h1-12,25H,(H,23,24);1H
InChIKeyCVXQIHMFOZYTPG-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.59
Rot. Bonds3

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

2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride (PubChem CID 44533820) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
PubChem CID44533820
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride
SMILESCl.Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl
InChIInChI=1S/C20H14ClN3O.ClH/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14;/h1-12,25H,(H,23,24);1H
InChIKeyCVXQIHMFOZYTPG-UHFFFAOYSA-N
XLogP5.59
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride?
The IUPAC name of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride (CID 44533820) is 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride.
What is the SMILES notation for 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride?
The canonical SMILES for 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride is Cl.Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride?
The InChIKey is CVXQIHMFOZYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O.ClH/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14;/h1-12,25H,(H,23,24);1H.
What are the key properties of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride?
2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride has a molecular weight of 384.27 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenol;hydrochloride is sourced from PubChem (CID 44533820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).