3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole

C97H69F3N16O6 — CID 161285357

IUPAC3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1
InChIInChI=1S/C25H18F3N3.C24H17N5O4.C24H16N4O2.C24H18N4/c1-15-21(19-12-5-6-13-20(19)29-15)24-30-22(16-8-3-2-4-9-16)23(31-24)17-10-7-11-18(14-17)25(26,27)28;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24/h2-14,29H,1H3,(H,30,31);2-13,25H,1H3,(H,26,27);2-12,25H,1H3,(H,26,27);2-12,26H,25H2,1H3,(H,27,28)
InChIKeyVFQGYWMZBVQLRS-UHFFFAOYSA-N
MW1611.72 g/mol
LogP25.38
Rot. Bonds11

About 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole

3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole (PubChem CID 161285357) has the molecular formula C97H69F3N16O6 and a molecular weight of 1611.72 g/mol. Its IUPAC name is 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
PubChem CID161285357
Molecular FormulaC97H69F3N16O6
Molecular Weight1611.72 g/mol
Exact Mass1610.55
IUPAC Name3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1
InChIInChI=1S/C25H18F3N3.C24H17N5O4.C24H16N4O2.C24H18N4/c1-15-21(19-12-5-6-13-20(19)29-15)24-30-22(16-8-3-2-4-9-16)23(31-24)17-10-7-11-18(14-17)25(26,27)28;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24/h2-14,29H,1H3,(H,30,31);2-13,25H,1H3,(H,26,27);2-12,25H,1H3,(H,26,27);2-12,26H,25H2,1H3,(H,27,28)
InChIKeyVFQGYWMZBVQLRS-UHFFFAOYSA-N
XLogP25.38
TPSA333.32 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001611.72
LogP ≤ 525.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)-7-[4-(trifluoromethyl)phenyl]-2,1,3-benzothiadiazole
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CID 4568582
2-(3-trifluoromethyl-4-nitro-benzyl)-1H-naphth[2,3-d]imidazo le
CID 406458
9,10-bis[4-(3-fluoro-N-(3-fluorophenyl)anilino)phenyl]-2-N,6-N-diphenyl-2-N,6-N-bis(3-phenyl-1H-benzimidazol-3-ium-2-yl)anthracene-2,6-diamine
CID 57944252
6-[(2R,5R)-1-[3,5-difluoro-4-(4-naphthalen-2-ylpiperidin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 66630022
6-[(1S,2S)-1-[3,5-difluoro-4-(4-naphthalen-2-ylpiperidin-1-yl)phenyl]-1-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-1-ium-2-yl]-5-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
CID 88923199
2-[(2S,4R,5R)-4,5-dimethylpyrrolidin-2-yl]-6-[6-[6-[2-[(2S,4R,5R)-5-fluoro-4-methylpyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-1H-benzimidazole
CID 89552498
7-[2-[(2S)-4,4-difluoropyrrolidin-2-yl]-3H-benzimidazol-5-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 89641139
(6R)-4-[6-[2-[(6R)-1,6-diamino-7-methyloctan-4-yl]-3H-benzo[e]benzimidazol-7-yl]-1H-benzimidazol-2-yl]-2,2-difluoro-7-methyloctane-1,6-diamine
CID 117681438
2-[(2S)-pyrrolidin-2-yl]-6-[9,9,10,10-tetrafluoro-7-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenanthren-2-yl]-1H-benzimidazole
CID 122609565
6-[(2R,5S)-2-[3,5-difluoro-4-(4-naphthalen-2-ylpiperidin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 123210230
6-[(2S,5R)-1-[3,5-difluoro-4-(4-naphthalen-2-ylpiperidin-1-yl)phenyl]-5-[6-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 123372629

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole (CID 161285357) is 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole is Cc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccccc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cc([N+](=O)[O-])ccc3c3ccccc3c2[nH]1.
What is the InChIKey of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
The InChIKey is VFQGYWMZBVQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3.C24H17N5O4.C24H16N4O2.C24H18N4/c1-15-21(19-12-5-6-13-20(19)29-15)24-30-22(16-8-3-2-4-9-16)23(31-24)17-10-7-11-18(14-17)25(26,27)28;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-13-21(18-8-4-5-9-20(18)25-13)24-26-22-17-7-3-2-6-15(17)16-11-10-14(28(29)30)12-19(16)23(22)27-24;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24/h2-14,29H,1H3,(H,30,31);2-13,25H,1H3,(H,26,27);2-12,25H,1H3,(H,26,27);2-12,26H,25H2,1H3,(H,27,28).
What are the key properties of 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole?
3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole has a molecular weight of 1611.72 g/mol, XLogP of 25.38, 11 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 161285357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).