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

C21H20N4O — CID 50953441

IUPAC4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)n1
InChIInChI=1S/C21H20N4O/c1-15(2)21-22-11-10-18(24-21)20-19(16-7-4-3-5-8-16)23-14-25(20)13-17-9-6-12-26-17/h3-12,14-15H,13H2,1-2H3
InChIKeyHKUMPUWRZBYBHK-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.77
Rot. Bonds5

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

4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (PubChem CID 50953441) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
PubChem CID50953441
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)n1
InChIInChI=1S/C21H20N4O/c1-15(2)21-22-11-10-18(24-21)20-19(16-7-4-3-5-8-16)23-14-25(20)13-17-9-6-12-26-17/h3-12,14-15H,13H2,1-2H3
InChIKeyHKUMPUWRZBYBHK-UHFFFAOYSA-N
XLogP4.77
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine (CID 50953441) is 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(-c2c(-c3ccccc3)ncn2Cc2ccco2)n1.
What is the InChIKey of 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
The InChIKey is HKUMPUWRZBYBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15(2)21-22-11-10-18(24-21)20-19(16-7-4-3-5-8-16)23-14-25(20)13-17-9-6-12-26-17/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine?
4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine has a molecular weight of 344.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 50953441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).