2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine

C13H12N4 — CID 67717157

IUPAC2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine
SMILESC1=NCCN1c1ccccc1-c1ncccn1
InChIInChI=1S/C13H12N4/c1-2-5-12(17-9-8-14-10-17)11(4-1)13-15-6-3-7-16-13/h1-7,10H,8-9H2
InChIKeyLJNGWTFZQNUTEF-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.99
Rot. Bonds2

About 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine

2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine (PubChem CID 67717157) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine
PubChem CID67717157
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine
SMILESC1=NCCN1c1ccccc1-c1ncccn1
InChIInChI=1S/C13H12N4/c1-2-5-12(17-9-8-14-10-17)11(4-1)13-15-6-3-7-16-13/h1-7,10H,8-9H2
InChIKeyLJNGWTFZQNUTEF-UHFFFAOYSA-N
XLogP1.99
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
Quinazoline
CID 9210
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Quinazolin-2-amine
CID 519332
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
3-Phenylimidazo(1,5-a)pyridine
CID 606670
4-(4-Phenylphenyl)pyrimidine
CID 817541
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine?
The IUPAC name of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine (CID 67717157) is 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine is C1=NCCN1c1ccccc1-c1ncccn1.
What is the InChIKey of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine?
The InChIKey is LJNGWTFZQNUTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-5-12(17-9-8-14-10-17)11(4-1)13-15-6-3-7-16-13/h1-7,10H,8-9H2.
What are the key properties of 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine?
2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine has a molecular weight of 224.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidine is sourced from PubChem (CID 67717157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).