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

C25H23ClFN7O — CID 71598708

IUPAC2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)ccc1Cl
InChIInChI=1S/C25H23ClFN7O/c1-17-12-18(2-7-21(17)26)22-14-34(20-5-3-19(27)4-6-20)23(31-22)13-24(35)32-8-10-33(11-9-32)25-29-15-28-16-30-25/h2-7,12,14-16H,8-11,13H2,1H3
InChIKeyKKHHRHJBHNLZHB-UHFFFAOYSA-N
MW491.96 g/mol
LogP3.72
Rot. Bonds5

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

2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 71598708) has the molecular formula C25H23ClFN7O and a molecular weight of 491.96 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
PubChem CID71598708
Molecular FormulaC25H23ClFN7O
Molecular Weight491.96 g/mol
Exact Mass491.16
IUPAC Name2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)ccc1Cl
InChIInChI=1S/C25H23ClFN7O/c1-17-12-18(2-7-21(17)26)22-14-34(20-5-3-19(27)4-6-20)23(31-22)13-24(35)32-8-10-33(11-9-32)25-29-15-28-16-30-25/h2-7,12,14-16H,8-11,13H2,1H3
InChIKeyKKHHRHJBHNLZHB-UHFFFAOYSA-N
XLogP3.72
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71598710
2-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71599853
2-[1,4-bis(4-fluorophenyl)imidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71599769
2-[4-(4-fluoro-3-methylphenyl)-1-phenylimidazol-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71580513
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71599086
1-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-3-[4-[(7-ethyl-4,5-dihydroazocin-2-yl)methyl]cycloheptyl]propan-2-one
CID 123640651
1-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]ethanone
CID 71603366
lithium 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetate
CID 162309650
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
1-[1-(4-fluorophenyl)-4-(4-methylphenyl)imidazol-2-yl]-3-[1-(4-methoxy-2-pyridinyl)azepan-4-yl]propan-2-one
CID 123663711
2-(2-chlorophenyl)-1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]ethanone
CID 53197249

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (CID 71598708) is 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is Cc1cc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ncncn4)CC3)n2)ccc1Cl.
What is the InChIKey of 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is KKHHRHJBHNLZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN7O/c1-17-12-18(2-7-21(17)26)22-14-34(20-5-3-19(27)4-6-20)23(31-22)13-24(35)32-8-10-33(11-9-32)25-29-15-28-16-30-25/h2-7,12,14-16H,8-11,13H2,1H3.
What are the key properties of 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 491.96 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-methylphenyl)-1-(4-fluorophenyl)imidazol-2-yl]-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).