2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline

C89H62ClFN20O2 — CID 159074524

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline
SMILESCOc1ccc2[nH]c(C)c(-c3nc4c5c(c6ncccc6c4[nH]3)N=CCC5)c2c1.Cc1[nH]c2ccc(Cl)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1[nH]c2ccc(O)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C23H19N5O.C22H14ClN5.C22H14FN5.C22H15N5O/c1-12-18(16-11-13(29-2)7-8-17(16)26-12)23-27-21-14-5-3-9-24-19(14)20-15(22(21)28-23)6-4-10-25-20;2*1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19;1-11-17(15-10-12(28)6-7-16(15)25-11)22-26-20-13-4-2-8-23-18(13)19-14(21(20)27-22)5-3-9-24-19/h3,5,7-11,26H,4,6H2,1-2H3,(H,27,28);2*2-10,26H,1H3,(H,27,28);2-10,25,28H,1H3,(H,26,27)
InChIKeyKABUDWBLWKNTQK-UHFFFAOYSA-N
MW1498.06 g/mol
LogP21.07
Rot. Bonds5

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline

2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 159074524) has the molecular formula C89H62ClFN20O2 and a molecular weight of 1498.06 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID159074524
Molecular FormulaC89H62ClFN20O2
Molecular Weight1498.06 g/mol
Exact Mass1496.50
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline
SMILESCOc1ccc2[nH]c(C)c(-c3nc4c5c(c6ncccc6c4[nH]3)N=CCC5)c2c1.Cc1[nH]c2ccc(Cl)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1[nH]c2ccc(O)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C23H19N5O.C22H14ClN5.C22H14FN5.C22H15N5O/c1-12-18(16-11-13(29-2)7-8-17(16)26-12)23-27-21-14-5-3-9-24-19(14)20-15(22(21)28-23)6-4-10-25-20;2*1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19;1-11-17(15-10-12(28)6-7-16(15)25-11)22-26-20-13-4-2-8-23-18(13)19-14(21(20)27-22)5-3-9-24-19/h3,5,7-11,26H,4,6H2,1-2H3,(H,27,28);2*2-10,26H,1H3,(H,27,28);2-10,25,28H,1H3,(H,26,27)
InChIKeyKABUDWBLWKNTQK-UHFFFAOYSA-N
XLogP21.07
TPSA309.93 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001498.06
LogP ≤ 521.07
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline with MolForge

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Related Compounds

12-(3-Aminophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-chlorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(3-cyanophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-cyanophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-(trifluoromethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157313889
12-(3-Aminophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-chlorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(3-chlorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-chlorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(3-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 158110180
4-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[3-(dimethylamino)phenyl]-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[3-(methoxymethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-[3-(trifluoromethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine;2-[3-[2-(4-piperazin-1-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile
CID 159850558
12-(3-Aminophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-chlorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-chlorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-cyanophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(3-fluorophenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-hydroxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 160323827
4-[9-benzyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123637067
bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;ethane;bis(4-ethylaniline)
CID 157211182
CID 157418091
CID 157418091
benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-9-phenylcarbazole;2-chloro-3-iodopyridine;3-methoxy-9-phenylcarbazole;20-phenyl-3,10,15,20-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),2,4,6,8,11(16),12,14,18,21,23,25,27-tridecaene
CID 157463111
bis(7-benzyl-4-chloro-2,5-dimethylpyrrolo[3,2-d]pyrimidine);7-benzyl-4-chloro-2-methyl-5H-cyclopenta[d]pyrimidine;1-(7-benzyl-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)-6-methoxy-3,4-dihydro-2H-quinoline;7-benzyl-N-(4-methoxyphenyl)-2,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine;7-benzyl-N-(4-methoxyphenyl)-N,2,5-trimethylpyrrolo[3,2-d]pyrimidin-4-amine;4-methoxyaniline;4-methoxy-N-methylaniline
CID 157492631
2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 158174543
2-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]benzonitrile;7-(2-chlorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-fluorophenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(3-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 158246822
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 158451098

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline (CID 159074524) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline is COc1ccc2[nH]c(C)c(-c3nc4c5c(c6ncccc6c4[nH]3)N=CCC5)c2c1.Cc1[nH]c2ccc(Cl)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1[nH]c2ccc(F)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1[nH]c2ccc(O)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is KABUDWBLWKNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O.C22H14ClN5.C22H14FN5.C22H15N5O/c1-12-18(16-11-13(29-2)7-8-17(16)26-12)23-27-21-14-5-3-9-24-19(14)20-15(22(21)28-23)6-4-10-25-20;2*1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19;1-11-17(15-10-12(28)6-7-16(15)25-11)22-26-20-13-4-2-8-23-18(13)19-14(21(20)27-22)5-3-9-24-19/h3,5,7-11,26H,4,6H2,1-2H3,(H,27,28);2*2-10,26H,1H3,(H,27,28);2-10,25,28H,1H3,(H,26,27).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline?
2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 1498.06 g/mol, XLogP of 21.07, 5 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-methyl-1H-indol-5-ol;2-(5-methoxy-2-methyl-1H-indol-3-yl)-10,11-dihydro-3H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 159074524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).