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

C98H70Br2F4N12O2 — CID 159525779

IUPAC1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.CC(=O)n1c(-c2c(C)n(C(C)=O)c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/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;1-14-21(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14;24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h4-17H,1-3H3;2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27)
InChIKeyMCJCUKYWKDNLBL-UHFFFAOYSA-N
MW1683.52 g/mol
LogP26.53
Rot. Bonds12

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

1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole (PubChem CID 159525779) has the molecular formula C98H70Br2F4N12O2 and a molecular weight of 1683.52 g/mol. Its IUPAC name is 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
PubChem CID159525779
Molecular FormulaC98H70Br2F4N12O2
Molecular Weight1683.52 g/mol
Exact Mass1680.40
IUPAC Name1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.CC(=O)n1c(-c2c(C)n(C(C)=O)c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/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;1-14-21(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14;24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h4-17H,1-3H3;2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27)
InChIKeyMCJCUKYWKDNLBL-UHFFFAOYSA-N
XLogP26.53
TPSA190.30 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.52
LogP ≤ 526.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

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-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 53232165
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
CID 53232282
(2R)-N-[(2R)-1-[(2S)-2-[[5-fluoro-2-[5-fluoro-1-[[(2S)-1-[(2R)-3-(1H-indol-3-yl)-2-[[(2R)-2-(methylamino)propanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]benzimidazol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(methylamino)propanamide
CID 156187052
4-bromo-3H-pyrrole;1,3-dibromo-5-(trifluoromethyl)benzene;(2,4-difluorophenyl)boronic acid;4-(2,4-difluorophenyl)-1-methylimidazole;5-(2,4-difluorophenyl)-3H-pyrrole;N,N-dimethylacetamide;1H-imidazole;1-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]imidazole;iodomethane;methane;1-methyl-3-[3-(3-methylimidazol-3-ium-1-yl)-5-(trifluoromethyl)phenyl]imidazol-1-ium
CID 157449273
4-bromo-3H-pyrrole;1,3-dibromo-5-(trifluoromethyl)benzene;N,N-dimethylacetamide;9H-fluorene;1H-imidazole;1-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]imidazole;iodomethane;methane;9-(1-methylimidazol-4-yl)carbazole;1-methyl-3-[3-(3-methylimidazol-3-ium-1-yl)-5-(trifluoromethyl)phenyl]imidazol-1-ium;9-(3H-pyrrol-5-yl)carbazole
CID 157462683
4-bromo-3H-pyrrole;1,3-dibromo-5-(trifluoromethyl)benzene;(2,4-difluorophenyl)boronic acid;4-(2,4-difluorophenyl)-1-methylimidazole;5-(2,4-difluorophenyl)-3H-pyrrole;N,N-dimethylacetamide;1H-imidazole;1-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]imidazole;iodomethane;2-iodopropane;methane;1-propan-2-yl-3-[3-(3-propan-2-ylimidazol-3-ium-1-yl)-5-(trifluoromethyl)phenyl]imidazol-1-ium
CID 157517811
4-bromo-3H-pyrrole;2-bromo-1,3,5-trimethylbenzene;1,3-dibromo-5-(trifluoromethyl)benzene;(2,4-difluorophenyl)boronic acid;5-(2,4-difluorophenyl)-3H-pyrrole;4-(2,4-difluorophenyl)-1-(2,4,6-trimethylphenyl)imidazole;N,N-dimethylacetamide;1H-imidazole;1-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]imidazole;iodomethane;methane;1-methyl-3-[3-(3-methylimidazol-3-ium-1-yl)-5-(trifluoromethyl)phenyl]imidazol-1-ium
CID 161686402
1-[2-[(5-bromo-1H-indol-3-yl)methylamino]benzimidazol-1-yl]-4,4,4-trifluorobutan-1-one
CID 166172593
4-imidazol-1-yl-N-[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]butanamide
CID 177430602
3-imidazol-1-yl-N-[2-[10,15,20-tris(2,6-difluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
CID 177568643
2-amino-N-[3-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]acetamide
CID 58882280

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The IUPAC name of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole (CID 159525779) is 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-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;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The canonical SMILES for 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2c1.CC(=O)n1c(-c2c(C)n(C(C)=O)c3ccccc23)nc(-c2ccccc2)c1-c1ccccc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1.Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The InChIKey is MCJCUKYWKDNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/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;1-14-21(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14;24-17-11-12-20-18(13-17)19(14-25-20)23-26-21(15-7-3-1-4-8-15)22(27-23)16-9-5-2-6-10-16/h4-17H,1-3H3;2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27).
What are the key properties of 1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
1-[3-(1-acetyl-4,5-diphenylimidazol-2-yl)-2-methylindol-1-yl]ethanone;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole has a molecular weight of 1683.52 g/mol, XLogP of 26.53, 12 rotatable bonds, 6 hydrogen bond donors, and 8 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;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole is sourced from PubChem (CID 159525779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).