1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole

C22H17N5O — CID 50979997

IUPAC1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole
SMILESc1ccc(-c2ncn(Cc3ccco3)c2-c2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C22H17N5O/c1-2-5-17(6-3-1)21-22(26(16-24-21)13-20-7-4-12-28-20)18-8-10-19(11-9-18)27-15-23-14-25-27/h1-12,14-16H,13H2
InChIKeyFIVFPDWBVLDVTO-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.44
Rot. Bonds5

About 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole

1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole (PubChem CID 50979997) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole
PubChem CID50979997
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole
SMILESc1ccc(-c2ncn(Cc3ccco3)c2-c2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C22H17N5O/c1-2-5-17(6-3-1)21-22(26(16-24-21)13-20-7-4-12-28-20)18-8-10-19(11-9-18)27-15-23-14-25-27/h1-12,14-16H,13H2
InChIKeyFIVFPDWBVLDVTO-UHFFFAOYSA-N
XLogP4.44
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole?
The IUPAC name of 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole (CID 50979997) is 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole?
The canonical SMILES for 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole is c1ccc(-c2ncn(Cc3ccco3)c2-c2ccc(-n3cncn3)cc2)cc1.
What is the InChIKey of 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole?
The InChIKey is FIVFPDWBVLDVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-2-5-17(6-3-1)21-22(26(16-24-21)13-20-7-4-12-28-20)18-8-10-19(11-9-18)27-15-23-14-25-27/h1-12,14-16H,13H2.
What are the key properties of 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole?
1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole has a molecular weight of 367.41 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(furan-2-ylmethyl)-5-phenylimidazol-4-yl]phenyl]-1,2,4-triazole is sourced from PubChem (CID 50979997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).