5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one

C96H71BrIN11O2 — CID 159475815

IUPAC5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.Cc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C29H27BrN4.C24H15N3O.C22H16N2.C21H13IN2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;1-14-8-2-3-9-15(14)22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-22;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-13H,(H,25,28)(H,26,27);2-13H,1H3,(H,23,24);1-11,25H,(H,23,24)
InChIKeyLWJFEFRTSAKVCF-UHFFFAOYSA-N
MW1617.51 g/mol
LogP24.71
Rot. Bonds8

About 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one

5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one (PubChem CID 159475815) has the molecular formula C96H71BrIN11O2 and a molecular weight of 1617.51 g/mol. Its IUPAC name is 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
PubChem CID159475815
Molecular FormulaC96H71BrIN11O2
Molecular Weight1617.51 g/mol
Exact Mass1615.40
IUPAC Name5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
SMILESBrc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.Cc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1
InChIInChI=1S/C29H27BrN4.C24H15N3O.C22H16N2.C21H13IN2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;1-14-8-2-3-9-15(14)22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-22;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-13H,(H,25,28)(H,26,27);2-13H,1H3,(H,23,24);1-11,25H,(H,23,24)
InChIKeyLWJFEFRTSAKVCF-UHFFFAOYSA-N
XLogP24.71
TPSA186.84 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001617.51
LogP ≤ 524.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-5,10-diol
CID 134312349
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;1-(5-bromo-1H-indol-3-yl)-N-[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]methanimine;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 157262420
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-phenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 157425153
4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;2-methyl-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 157669001
5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
CID 158021396
5-bromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;4-[[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]amino]-4-oxobutanoic acid;4-[2-(5-bromo-1H-indol-3-yl)-5-phenyl-1H-imidazol-4-yl]benzene-1,2-diol;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-phenyl-1H-indole
CID 159136835
3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
CID 159656462
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide;3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-fluoro-1H-indole;2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine;2-(5-methoxy-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 159947280
4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbohydrazide;3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
CID 160038070
2-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]carbamoyl]benzoic acid;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 160337997
4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
CID 160353968
2-(5-bromo-1H-indol-3-yl)-6,9-dimethyl-1H-phenanthro[9,10-d]imidazole;4-[2-(5-bromo-1H-indol-3-yl)-4-(4-hydroxyphenyl)-1H-imidazol-5-yl]phenol;5-bromo-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole;4-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline;2-methyl-3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
CID 160381435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one (CID 159475815) is 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one is Brc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(CN5CCCCC5)cc4)[nH]3)c2c1.Cc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1.
What is the InChIKey of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?
The InChIKey is LWJFEFRTSAKVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrN4.C24H15N3O.C22H16N2.C21H13IN2O/c30-23-13-14-26-24(17-23)25(18-31-26)29-32-27(21-7-3-1-4-8-21)28(33-29)22-11-9-20(10-12-22)19-34-15-5-2-6-16-34;28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;1-14-8-2-3-9-15(14)22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-22;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12/h1,3-4,7-14,17-18,31H,2,5-6,15-16,19H2,(H,32,33);1-13H,(H,25,28)(H,26,27);2-13H,1H3,(H,23,24);1-11,25H,(H,23,24).
What are the key properties of 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?
5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one has a molecular weight of 1617.51 g/mol, XLogP of 24.71, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-phenyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 159475815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).