4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine

C18H12ClN5 — CID 46962546

IUPAC4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine
SMILESClc1ccc(-c2nc(-c3ccncc3)ncc2-c2ncc[nH]2)cc1
InChIInChI=1S/C18H12ClN5/c19-14-3-1-12(2-4-14)16-15(18-21-9-10-22-18)11-23-17(24-16)13-5-7-20-8-6-13/h1-11H,(H,21,22)
InChIKeyUXAYDLAOXJPODP-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.25
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine

4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine (PubChem CID 46962546) has the molecular formula C18H12ClN5 and a molecular weight of 333.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine
PubChem CID46962546
Molecular FormulaC18H12ClN5
Molecular Weight333.78 g/mol
Exact Mass333.08
IUPAC Name4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine
SMILESClc1ccc(-c2nc(-c3ccncc3)ncc2-c2ncc[nH]2)cc1
InChIInChI=1S/C18H12ClN5/c19-14-3-1-12(2-4-14)16-15(18-21-9-10-22-18)11-23-17(24-16)13-5-7-20-8-6-13/h1-11H,(H,21,22)
InChIKeyUXAYDLAOXJPODP-UHFFFAOYSA-N
XLogP4.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine (CID 46962546) is 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine is Clc1ccc(-c2nc(-c3ccncc3)ncc2-c2ncc[nH]2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine?
The InChIKey is UXAYDLAOXJPODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5/c19-14-3-1-12(2-4-14)16-15(18-21-9-10-22-18)11-23-17(24-16)13-5-7-20-8-6-13/h1-11H,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine?
4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine has a molecular weight of 333.78 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(1H-imidazol-2-yl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 46962546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).