2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone

C25H24FN7O2 — CID 71598989

IUPAC2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)c1
InChIInChI=1S/C25H24FN7O2/c1-35-21-4-2-3-18(13-21)22-15-33(20-7-5-19(26)6-8-20)23(30-22)14-24(34)31-9-11-32(12-10-31)25-28-16-27-17-29-25/h2-8,13,15-17H,9-12,14H2,1H3
InChIKeyLGQOOORWDKHNCC-UHFFFAOYSA-N
MW473.51 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone

2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 71598989) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
PubChem CID71598989
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)c1
InChIInChI=1S/C25H24FN7O2/c1-35-21-4-2-3-18(13-21)22-15-33(20-7-5-19(26)6-8-20)23(30-22)14-24(34)31-9-11-32(12-10-31)25-28-16-27-17-29-25/h2-8,13,15-17H,9-12,14H2,1H3
InChIKeyLGQOOORWDKHNCC-UHFFFAOYSA-N
XLogP2.76
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (CID 71598989) is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is LGQOOORWDKHNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-35-21-4-2-3-18(13-21)22-15-33(20-7-5-19(26)6-8-20)23(30-22)14-24(34)31-9-11-32(12-10-31)25-28-16-27-17-29-25/h2-8,13,15-17H,9-12,14H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 473.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71598989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).