2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine

C13H9ClN4 — CID 22288415

IUPAC2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine
SMILESClc1nccc(-n2ccnc2-c2ccccc2)n1
InChIInChI=1S/C13H9ClN4/c14-13-16-7-6-11(17-13)18-9-8-15-12(18)10-4-2-1-3-5-10/h1-9H
InChIKeyLYUAPIFUSUJZFL-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine

2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine (PubChem CID 22288415) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine
PubChem CID22288415
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine
SMILESClc1nccc(-n2ccnc2-c2ccccc2)n1
InChIInChI=1S/C13H9ClN4/c14-13-16-7-6-11(17-13)18-9-8-15-12(18)10-4-2-1-3-5-10/h1-9H
InChIKeyLYUAPIFUSUJZFL-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine (CID 22288415) is 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine is Clc1nccc(-n2ccnc2-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine?
The InChIKey is LYUAPIFUSUJZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-13-16-7-6-11(17-13)18-9-8-15-12(18)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine?
2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 22288415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).