5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole

C18H16N4 — CID 169050221

IUPAC5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole
SMILESCc1ccc2c(-c3cnc[nH]3)c(C)cc(-c3cnc[nH]3)c2c1
InChIInChI=1S/C18H16N4/c1-11-3-4-13-14(5-11)15(16-7-19-9-21-16)6-12(2)18(13)17-8-20-10-22-17/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUSXLQLLKGJKELH-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.24
Rot. Bonds2

About 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole

5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole (PubChem CID 169050221) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole
PubChem CID169050221
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole
SMILESCc1ccc2c(-c3cnc[nH]3)c(C)cc(-c3cnc[nH]3)c2c1
InChIInChI=1S/C18H16N4/c1-11-3-4-13-14(5-11)15(16-7-19-9-21-16)6-12(2)18(13)17-8-20-10-22-17/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyUSXLQLLKGJKELH-UHFFFAOYSA-N
XLogP4.24
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole?
The IUPAC name of 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole (CID 169050221) is 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole.
What is the SMILES notation for 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole?
The canonical SMILES for 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole is Cc1ccc2c(-c3cnc[nH]3)c(C)cc(-c3cnc[nH]3)c2c1.
What is the InChIKey of 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole?
The InChIKey is USXLQLLKGJKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-11-3-4-13-14(5-11)15(16-7-19-9-21-16)6-12(2)18(13)17-8-20-10-22-17/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole?
5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole has a molecular weight of 288.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole is sourced from PubChem (CID 169050221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).