5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole

C22H16N4 — CID 122429492

IUPAC5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole
SMILESc1ncc(-c2ccc(-c3ccc4cc(-c5cnc[nH]5)ccc4c3)cc2)[nH]1
InChIInChI=1S/C22H16N4/c1-3-16(21-11-23-13-25-21)4-2-15(1)17-5-6-19-10-20(8-7-18(19)9-17)22-12-24-14-26-22/h1-14H,(H,23,25)(H,24,26)
InChIKeyAXULTHWRYDTROS-UHFFFAOYSA-N
MW336.40 g/mol
LogP5.29
Rot. Bonds3

About 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole

5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole (PubChem CID 122429492) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole
PubChem CID122429492
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole
SMILESc1ncc(-c2ccc(-c3ccc4cc(-c5cnc[nH]5)ccc4c3)cc2)[nH]1
InChIInChI=1S/C22H16N4/c1-3-16(21-11-23-13-25-21)4-2-15(1)17-5-6-19-10-20(8-7-18(19)9-17)22-12-24-14-26-22/h1-14H,(H,23,25)(H,24,26)
InChIKeyAXULTHWRYDTROS-UHFFFAOYSA-N
XLogP5.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole (CID 122429492) is 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole is c1ncc(-c2ccc(-c3ccc4cc(-c5cnc[nH]5)ccc4c3)cc2)[nH]1.
What is the InChIKey of 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole?
The InChIKey is AXULTHWRYDTROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4/c1-3-16(21-11-23-13-25-21)4-2-15(1)17-5-6-19-10-20(8-7-18(19)9-17)22-12-24-14-26-22/h1-14H,(H,23,25)(H,24,26).
What are the key properties of 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole?
5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole has a molecular weight of 336.40 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 122429492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).