4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole

C27H22N2O2 — CID 138455447

IUPAC4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccc4ccccc4c3)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C27H22N2O2/c1-30-23-11-5-9-20(16-23)25-26(21-10-6-12-24(17-21)31-2)29-27(28-25)22-14-13-18-7-3-4-8-19(18)15-22/h3-17H,1-2H3,(H,28,29)
InChIKeyWPVOADZMYOCZJN-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.58
Rot. Bonds5

About 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole

4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole (PubChem CID 138455447) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole
PubChem CID138455447
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole
SMILESCOc1cccc(-c2nc(-c3ccc4ccccc4c3)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C27H22N2O2/c1-30-23-11-5-9-20(16-23)25-26(21-10-6-12-24(17-21)31-2)29-27(28-25)22-14-13-18-7-3-4-8-19(18)15-22/h3-17H,1-2H3,(H,28,29)
InChIKeyWPVOADZMYOCZJN-UHFFFAOYSA-N
XLogP6.58
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole?
The IUPAC name of 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole (CID 138455447) is 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole.
What is the SMILES notation for 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole?
The canonical SMILES for 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole is COc1cccc(-c2nc(-c3ccc4ccccc4c3)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole?
The InChIKey is WPVOADZMYOCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-30-23-11-5-9-20(16-23)25-26(21-10-6-12-24(17-21)31-2)29-27(28-25)22-14-13-18-7-3-4-8-19(18)15-22/h3-17H,1-2H3,(H,28,29).
What are the key properties of 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole?
4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole has a molecular weight of 406.49 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3-methoxyphenyl)-2-naphthalen-2-yl-1H-imidazole is sourced from PubChem (CID 138455447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).