4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine

C20H24N4O — CID 50970354

IUPAC4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCCOCCn1cnc(-c2ccccc2)c1-c1ccnc(C(C)C)n1
InChIInChI=1S/C20H24N4O/c1-4-25-13-12-24-14-22-18(16-8-6-5-7-9-16)19(24)17-10-11-21-20(23-17)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyQUHJJVBQLUTWOM-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.17
Rot. Bonds7

About 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine

4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (PubChem CID 50970354) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
PubChem CID50970354
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCCOCCn1cnc(-c2ccccc2)c1-c1ccnc(C(C)C)n1
InChIInChI=1S/C20H24N4O/c1-4-25-13-12-24-14-22-18(16-8-6-5-7-9-16)19(24)17-10-11-21-20(23-17)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyQUHJJVBQLUTWOM-UHFFFAOYSA-N
XLogP4.17
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-phenyl-3-[[(2R)-pyrrolidin-2-yl]methyl]imidazol-4-yl]-2-propan-2-ylpyrimidine;hydrochloride
CID 154924681
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
4,5-diphenyl-1-propylimidazole
CID 14950648
2-[3-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]propyl]phenol
CID 50981552
2-[2-[5-[(2R)-pentan-2-yl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95119881
2-[2-[5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
CID 95142356
4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;sulfane
CID 163562723
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133449263
2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50950062
2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50979039
4-(3-cyclopent-3-en-1-yl-5-phenylimidazol-4-yl)-2-ethylpyrimidine
CID 50979575
5-(1H-imidazol-2-yl)-1-(2-phenoxyethyl)-4-phenylimidazole
CID 50965581

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (CID 50970354) is 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is CCOCCn1cnc(-c2ccccc2)c1-c1ccnc(C(C)C)n1.
What is the InChIKey of 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The InChIKey is QUHJJVBQLUTWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-25-13-12-24-14-22-18(16-8-6-5-7-9-16)19(24)17-10-11-21-20(23-17)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3.
What are the key properties of 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine has a molecular weight of 336.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 50970354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).