6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole

C23H18N4O — CID 58483627

IUPAC6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole
SMILESCOc1nn(-c2ccccc2)c2cc(-c3ccc(-n4ccnc4)cc3)ccc12
InChIInChI=1S/C23H18N4O/c1-28-23-21-12-9-18(15-22(21)27(25-23)20-5-3-2-4-6-20)17-7-10-19(11-8-17)26-14-13-24-16-26/h2-16H,1H3
InChIKeyWLWVEZQHEJYXEM-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.89
Rot. Bonds4

About 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole

6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole (PubChem CID 58483627) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole.

Molecular Properties

Compound Name6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole
PubChem CID58483627
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole
SMILESCOc1nn(-c2ccccc2)c2cc(-c3ccc(-n4ccnc4)cc3)ccc12
InChIInChI=1S/C23H18N4O/c1-28-23-21-12-9-18(15-22(21)27(25-23)20-5-3-2-4-6-20)17-7-10-19(11-8-17)26-14-13-24-16-26/h2-16H,1H3
InChIKeyWLWVEZQHEJYXEM-UHFFFAOYSA-N
XLogP4.89
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole?
The IUPAC name of 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole (CID 58483627) is 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole.
What is the SMILES notation for 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole?
The canonical SMILES for 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole is COc1nn(-c2ccccc2)c2cc(-c3ccc(-n4ccnc4)cc3)ccc12.
What is the InChIKey of 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole?
The InChIKey is WLWVEZQHEJYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-28-23-21-12-9-18(15-22(21)27(25-23)20-5-3-2-4-6-20)17-7-10-19(11-8-17)26-14-13-24-16-26/h2-16H,1H3.
What are the key properties of 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole?
6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole has a molecular weight of 366.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-imidazol-1-ylphenyl)-3-methoxy-1-phenylindazole is sourced from PubChem (CID 58483627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).