4-(imidazol-1-ylmethyl)-2-phenylpyrimidine

C14H12N4 — CID 131736320

IUPAC4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nccc(Cn3ccnc3)n2)cc1
InChIInChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-16-7-6-13(17-14)10-18-9-8-15-11-18/h1-9,11H,10H2
InChIKeyDUOPGAAHORGVBT-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.39
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine

4-(imidazol-1-ylmethyl)-2-phenylpyrimidine (PubChem CID 131736320) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
PubChem CID131736320
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-(imidazol-1-ylmethyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nccc(Cn3ccnc3)n2)cc1
InChIInChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-16-7-6-13(17-14)10-18-9-8-15-11-18/h1-9,11H,10H2
InChIKeyDUOPGAAHORGVBT-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazol-1-ylmethyl)pyrimidin-2-amine
CID 130536364
2-(chloromethyl)-6-(imidazol-1-ylmethyl)pyridine
CID 86089749
2-phenyl-4-(2-phenylethyl)pyrimidine
CID 134958718
1-[(3-phenylpyrrol-1-yl)methyl]imidazole
CID 141118913
6-(imidazol-1-ylmethyl)pyridine-2-carbaldehyde
CID 71463812
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
(1R,5S)-3-[(2-phenylpyrimidin-4-yl)methyl]-3-azabicyclo[3.2.0]heptan-1-amine
CID 167835349
2,4-diphenylpyrimidine;yttrium
CID 59738567
4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90533496
1-(2,2,2-triphenylethyl)imidazole
CID 53325760
2-imidazol-1-ylethyl-bis(4-phenylphenyl)silane
CID 173417558
5-fluoro-2-(imidazol-1-ylmethyl)pyridine
CID 126784137

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine?
The IUPAC name of 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine (CID 131736320) is 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine is c1ccc(-c2nccc(Cn3ccnc3)n2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine?
The InChIKey is DUOPGAAHORGVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-2-4-12(5-3-1)14-16-7-6-13(17-14)10-18-9-8-15-11-18/h1-9,11H,10H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine?
4-(imidazol-1-ylmethyl)-2-phenylpyrimidine has a molecular weight of 236.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-2-phenylpyrimidine is sourced from PubChem (CID 131736320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).