5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole

C19H16N4O — CID 91527316

IUPAC5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole
SMILESCc1ncc(-c2cccc(Oc3ccc(-c4cnc[nH]4)cc3)c2)[nH]1
InChIInChI=1S/C19H16N4O/c1-13-21-11-19(23-13)15-3-2-4-17(9-15)24-16-7-5-14(6-8-16)18-10-20-12-22-18/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKeyRYWQCTFHWDIDPY-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.57
Rot. Bonds4

About 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole

5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole (PubChem CID 91527316) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole
PubChem CID91527316
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole
SMILESCc1ncc(-c2cccc(Oc3ccc(-c4cnc[nH]4)cc3)c2)[nH]1
InChIInChI=1S/C19H16N4O/c1-13-21-11-19(23-13)15-3-2-4-17(9-15)24-16-7-5-14(6-8-16)18-10-20-12-22-18/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKeyRYWQCTFHWDIDPY-UHFFFAOYSA-N
XLogP4.57
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole (CID 91527316) is 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole is Cc1ncc(-c2cccc(Oc3ccc(-c4cnc[nH]4)cc3)c2)[nH]1.
What is the InChIKey of 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole?
The InChIKey is RYWQCTFHWDIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-21-11-19(23-13)15-3-2-4-17(9-15)24-16-7-5-14(6-8-16)18-10-20-12-22-18/h2-12H,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole?
5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole has a molecular weight of 316.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1H-imidazol-5-yl)phenoxy]phenyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 91527316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).