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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole

C96H70Br2F4N12O2 — CID 158897657

IUPAC3-[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;3-[4,5-bis(4-methoxyphenyl)-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.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.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/C26H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/c1-16-23(21-6-4-5-7-22(21)27-16)26-28-24(17-8-12-19(30-2)13-9-17)25(29-26)18-10-14-20(31-3)15-11-18;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/h4-15,27H,1-3H3,(H,28,29);2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27)
InChIKeyJFANVJSYZGPBGL-UHFFFAOYSA-N
MW1659.50 g/mol
LogP26.28
Rot. Bonds14

About 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole

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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole (PubChem CID 158897657) has the molecular formula C96H70Br2F4N12O2 and a molecular weight of 1659.50 g/mol. Its IUPAC name is 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole.

Molecular Properties

Compound Name3-[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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole
PubChem CID158897657
Molecular FormulaC96H70Br2F4N12O2
Molecular Weight1659.50 g/mol
Exact Mass1656.40
IUPAC Name3-[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;3-[4,5-bis(4-methoxyphenyl)-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.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.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/C26H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/c1-16-23(21-6-4-5-7-22(21)27-16)26-28-24(17-8-12-19(30-2)13-9-17)25(29-26)18-10-14-20(31-3)15-11-18;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/h4-15,27H,1-3H3,(H,28,29);2-13,27H,1H3,(H,28,29);1-12,27H,(H,28,29);1-14,25H,(H,26,27)
InChIKeyJFANVJSYZGPBGL-UHFFFAOYSA-N
XLogP26.28
TPSA196.34 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.50
LogP ≤ 526.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 10438518
3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 101630592
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757983
5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758008
3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139927237
2-[1-[(4-bromophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-1H-benzimidazole;2-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-6-pyridin-4-yl-1H-benzimidazole;2-piperidin-3-yl-6-pyridin-4-yl-1H-benzimidazole;6-pyridin-4-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-benzimidazole
CID 158657753
3-(5-bromo-6-methoxy-2-pyridinyl)-5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-5,6-dihydro-2H-1,2,4-oxadiazine;5-[6-fluoro-1-methyl-5-(trifluoromethyl)indol-3-yl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine;methane;5-methyl-1H-imidazole
CID 159622619
1-butyl-3-(5-phenyl-1H-imidazol-2-yl)-9H-pyrido[3,4-b]indole;1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-9H-pyrido[3,4-b]indole;3-(5-phenyl-1H-imidazol-2-yl)-1-[2-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indole
CID 161145266
tris[3-[3-[[2-[5-[(4,6-difluoro-1H-indol-5-yl)oxy]-2-fluorophenyl]-1H-imidazol-5-yl]methyl]-2-fluorophenyl]propoxy]-hydroxyphosphanium
CID 171781355
3-[2-(3-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757996
(2Z,7Z,11Z,16E,22Z,27E,31E)-17,37-bis[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorocyclohexyl)-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1(40),2,4,6(48),7,9,11,13(46),14,16,18,20,22,24,26(44),27,29,31,34,38-icosaene
CID 177607356

Frequently Asked Questions

What is the IUPAC name of 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The IUPAC name of 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole (CID 158897657) is 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;3-[4,5-bis(4-methoxyphenyl)-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 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The canonical SMILES for 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;3-[4,5-bis(4-methoxyphenyl)-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.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.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 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
The InChIKey is JFANVJSYZGPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2.C24H17F2N3.C23H14BrF2N3.C23H16BrN3/c1-16-23(21-6-4-5-7-22(21)27-16)26-28-24(17-8-12-19(30-2)13-9-17)25(29-26)18-10-14-20(31-3)15-11-18;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/h4-15,27H,1-3H3,(H,28,29);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 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;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole?
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;3-[4,5-bis(4-methoxyphenyl)-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 1659.50 g/mol, XLogP of 26.28, 14 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-[4,5-bis(4-methoxyphenyl)-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 158897657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).