5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole

C23H20N4 — CID 122429479

IUPAC5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole
SMILESCN1CNC=C1c1ccc(-c2ccc3cc(-c4cnc[nH]4)ccc3c2)cc1
InChIInChI=1S/C23H20N4/c1-27-15-25-13-23(27)17-4-2-16(3-5-17)18-6-7-20-11-21(9-8-19(20)10-18)22-12-24-14-26-22/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyFDHZHCUUVDROSP-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.69
Rot. Bonds3

About 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole

5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole (PubChem CID 122429479) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole
PubChem CID122429479
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole
SMILESCN1CNC=C1c1ccc(-c2ccc3cc(-c4cnc[nH]4)ccc3c2)cc1
InChIInChI=1S/C23H20N4/c1-27-15-25-13-23(27)17-4-2-16(3-5-17)18-6-7-20-11-21(9-8-19(20)10-18)22-12-24-14-26-22/h2-14,25H,15H2,1H3,(H,24,26)
InChIKeyFDHZHCUUVDROSP-UHFFFAOYSA-N
XLogP4.69
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole?
The IUPAC name of 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole (CID 122429479) is 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole.
What is the SMILES notation for 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole?
The canonical SMILES for 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole is CN1CNC=C1c1ccc(-c2ccc3cc(-c4cnc[nH]4)ccc3c2)cc1.
What is the InChIKey of 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole?
The InChIKey is FDHZHCUUVDROSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-27-15-25-13-23(27)17-4-2-16(3-5-17)18-6-7-20-11-21(9-8-19(20)10-18)22-12-24-14-26-22/h2-14,25H,15H2,1H3,(H,24,26).
What are the key properties of 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole?
5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole has a molecular weight of 352.44 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(3-methyl-1,2-dihydroimidazol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole is sourced from PubChem (CID 122429479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).