5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

C110H83Br2N13 — CID 158768139

IUPAC5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1.Cn1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(-c2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H20BrN3.C29H21N3.C28H25BrN4.C24H17N3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-3-9-20(10-4-1)21-15-17-23(18-16-21)28-27(22-11-5-2-6-12-22)31-29(32-28)25-19-30-26-14-8-7-13-24(25)26;29-21-11-14-25-23(17-21)24(18-30-25)28-31-26(19-7-3-1-4-8-19)27(32-28)20-9-12-22(13-10-20)33-15-5-2-6-16-33;1-27-14-20(17-10-6-7-13-21(17)27)24-25-22-18-11-4-2-8-15(18)16-9-3-5-12-19(16)23(22)26-24/h1-18,31H,(H,32,33);1-19,30H,(H,31,32);1,3-4,7-14,17-18,30H,2,5-6,15-16H2,(H,31,32);2-14H,1H3,(H,25,26)
InChIKeyIPNCDYDVUXXYDB-UHFFFAOYSA-N
MW1746.77 g/mol
LogP29.55
Rot. Bonds13

About 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole

5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 158768139) has the molecular formula C110H83Br2N13 and a molecular weight of 1746.77 g/mol. Its IUPAC name is 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID158768139
Molecular FormulaC110H83Br2N13
Molecular Weight1746.77 g/mol
Exact Mass1743.53
IUPAC Name5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1.Cn1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(-c2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C29H20BrN3.C29H21N3.C28H25BrN4.C24H17N3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-3-9-20(10-4-1)21-15-17-23(18-16-21)28-27(22-11-5-2-6-12-22)31-29(32-28)25-19-30-26-14-8-7-13-24(25)26;29-21-11-14-25-23(17-21)24(18-30-25)28-31-26(19-7-3-1-4-8-19)27(32-28)20-9-12-22(13-10-20)33-15-5-2-6-16-33;1-27-14-20(17-10-6-7-13-21(17)27)24-25-22-18-11-4-2-8-15(18)16-9-3-5-12-19(16)23(22)26-24/h1-18,31H,(H,32,33);1-19,30H,(H,31,32);1,3-4,7-14,17-18,30H,2,5-6,15-16H2,(H,31,32);2-14H,1H3,(H,25,26)
InChIKeyIPNCDYDVUXXYDB-UHFFFAOYSA-N
XLogP29.55
TPSA170.26 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.77
LogP ≤ 529.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
1-[[4-[2-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 44563174
3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 10257358
US11649237, Example 162
CID 137525011
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
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-(6-methyl-1H-benzimidazol-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 53232285
N-(1H-benzimidazol-2-ylmethyl)-1-[2-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 59950807
2-(5-bromo-1H-indol-3-yl)-6-fluoro-3H-phenanthro[9,10-d]imidazole
CID 118602067
[3-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]iminomethyl]-1H-indol-5-yl] thiohypofluorite
CID 143655510
2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole;2-[(2S)-4,4-difluoropyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-4,5-dihydro-3H-benzo[e]benzimidazole;bis(2-[(2S)-pyrrolidin-2-yl]-7-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazole);4-[(2S)-pyrrolidin-2-yl]-13-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,5-diazatricyclo[9.4.0.02,6]pentadeca-1(11),2(6),3,12,14-pentaene
CID 157391372
7-[4-(2-cyclopentyl-1H-imidazol-5-yl)-3-fluorophenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)-3-fluorophenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole;7-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole;7-[4-[2-[(1S)-3,3-difluorocyclopentyl]-1H-imidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-4,5-dihydro-3H-benzo[e]benzimidazole
CID 157397000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 158768139) is 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1.Cn1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21.c1ccc(-c2ccc(-c3[nH]c(-c4c[nH]c5ccccc45)nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is IPNCDYDVUXXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrN3.C29H21N3.C28H25BrN4.C24H17N3/c30-23-15-16-26-24(17-23)25(18-31-26)29-32-27(21-9-5-2-6-10-21)28(33-29)22-13-11-20(12-14-22)19-7-3-1-4-8-19;1-3-9-20(10-4-1)21-15-17-23(18-16-21)28-27(22-11-5-2-6-12-22)31-29(32-28)25-19-30-26-14-8-7-13-24(25)26;29-21-11-14-25-23(17-21)24(18-30-25)28-31-26(19-7-3-1-4-8-19)27(32-28)20-9-12-22(13-10-20)33-15-5-2-6-16-33;1-27-14-20(17-10-6-7-13-21(17)27)24-25-22-18-11-4-2-8-15(18)16-9-3-5-12-19(16)23(22)26-24/h1-18,31H,(H,32,33);1-19,30H,(H,31,32);1,3-4,7-14,17-18,30H,2,5-6,15-16H2,(H,31,32);2-14H,1H3,(H,25,26).
What are the key properties of 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 1746.77 g/mol, XLogP of 29.55, 13 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;5-bromo-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(1-methylindol-3-yl)-1H-phenanthro[9,10-d]imidazole;3-[4-phenyl-5-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 158768139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).