1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole

C50H37BrFN7O2 — CID 157375607

IUPAC1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
SMILESCC(=O)n1c(-c2c(C)n(C(C)=O)c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C28H23N3O2.C22H14BrFN4/c1-18-25(23-16-10-11-17-24(23)30(18)19(2)32)28-29-26(21-12-6-4-7-13-21)27(31(28)20(3)33)22-14-8-5-9-15-22;23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14/h4-17H,1-3H3;1-12,26H,(H,27,28)
InChIKeyBKHGLBYXEHPTHX-UHFFFAOYSA-N
MW866.80 g/mol
LogP12.66
Rot. Bonds6

About 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole

1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole (PubChem CID 157375607) has the molecular formula C50H37BrFN7O2 and a molecular weight of 866.80 g/mol. Its IUPAC name is 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
PubChem CID157375607
Molecular FormulaC50H37BrFN7O2
Molecular Weight866.80 g/mol
Exact Mass865.22
IUPAC Name1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole
SMILESCC(=O)n1c(-c2c(C)n(C(C)=O)c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C28H23N3O2.C22H14BrFN4/c1-18-25(23-16-10-11-17-24(23)30(18)19(2)32)28-29-26(21-12-6-4-7-13-21)27(31(28)20(3)33)22-14-8-5-9-15-22;23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14/h4-17H,1-3H3;1-12,26H,(H,27,28)
InChIKeyBKHGLBYXEHPTHX-UHFFFAOYSA-N
XLogP12.66
TPSA114.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.80
LogP ≤ 512.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71461260
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11385393
3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71452297
3-[(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
CID 71462982
5-bromo-3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 1253579
2-(5-bromo-1H-indol-3-yl)-5-(4-methylpiperazin-1-yl)-3-propylimidazo[4,5-b]pyridine
CID 136238986
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 10257358
4-[2-(5-bromo-1H-indol-3-yl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
CID 11386485
5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 11420438
3-((2S,4R)-2-(5-(6-bromopyridin-2-yl)-1H-imidazol-2-yl)-4-fluoropyrrolidine-1-carboxamido)-1H-indole-1-carboxamide
CID 130409358
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 52953298
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 52953337

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole (CID 157375607) is 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole is CC(=O)n1c(-c2c(C)n(C(C)=O)c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is BKHGLBYXEHPTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2.C22H14BrFN4/c1-18-25(23-16-10-11-17-24(23)30(18)19(2)32)28-29-26(21-12-6-4-7-13-21)27(31(28)20(3)33)22-14-8-5-9-15-22;23-15-3-6-19-17(11-15)18(12-26-19)22-27-20(13-1-4-16(24)5-2-13)21(28-22)14-7-9-25-10-8-14/h4-17H,1-3H3;1-12,26H,(H,27,28).
What are the key properties of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole?
1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 866.80 g/mol, XLogP of 12.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;5-bromo-3-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 157375607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).