2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole

C28H27N5 — CID 159911025

IUPAC2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole
SMILESCC(C)C1=NC2=C(C1)c1ccc(-c3ccc(-c4cnc(C(C)C)[nH]4)c4nccnc34)cc1C2
InChIInChI=1S/C28H27N5/c1-15(2)23-13-22-19-6-5-17(11-18(19)12-24(22)32-23)20-7-8-21(27-26(20)29-9-10-30-27)25-14-31-28(33-25)16(3)4/h5-11,14-16H,12-13H2,1-4H3,(H,31,33)
InChIKeyYCSHOENHNWIXIX-UHFFFAOYSA-N
MW433.56 g/mol
LogP6.58
Rot. Bonds4

About 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole

2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole (PubChem CID 159911025) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole.

Molecular Properties

Compound Name2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole
PubChem CID159911025
Molecular FormulaC28H27N5
Molecular Weight433.56 g/mol
Exact Mass433.23
IUPAC Name2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole
SMILESCC(C)C1=NC2=C(C1)c1ccc(-c3ccc(-c4cnc(C(C)C)[nH]4)c4nccnc34)cc1C2
InChIInChI=1S/C28H27N5/c1-15(2)23-13-22-19-6-5-17(11-18(19)12-24(22)32-23)20-7-8-21(27-26(20)29-9-10-30-27)25-14-31-28(33-25)16(3)4/h5-11,14-16H,12-13H2,1-4H3,(H,31,33)
InChIKeyYCSHOENHNWIXIX-UHFFFAOYSA-N
XLogP6.58
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole 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

2-propan-2-yl-7-(2-propan-2-yl-1,4-dihydroindeno[2,1-b]pyrrol-6-yl)-1H-benzo[e]indole;6-propan-2-yl-16-(2-propan-2-yl-1H-imidazol-5-yl)-7-azapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13(18),14,16-octaene;2-propan-2-yl-6-[4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-1,4-dihydroindeno[2,1-b]pyrrole;2-propan-2-yl-5-[4-[4-(2-propan-2-yl-3H-pyrrol-4-yl)phenyl]phenyl]-1H-imidazole;2-propan-2-yl-5-[9-(2-propan-2-yl-3H-pyrrol-4-yl)-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaenyl]-1H-imidazole
CID 162140714
methane;2-propan-2-yl-6-(2-propan-2-yl-1,4-dihydroindeno[2,1-b]pyrrol-6-yl)-1,4-dihydroindeno[2,1-b]pyrrole;2-propan-2-yl-5-[7-(2-propan-2-yl-1H-imidazol-5-yl)-9H-fluoren-2-yl]-3H-indole;2-propan-2-yl-6-[6-(2-propan-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1,4-dihydroindeno[2,1-b]pyrrole;2-propan-2-yl-5-[6-(2-propan-2-yl-3H-pyrrol-4-yl)anthracen-2-yl]-1H-imidazole;2-propan-2-yl-5-[7-(2-propan-2-yl-3H-pyrrol-4-yl)-9H-fluoren-2-yl]-1H-imidazole;2-propan-2-yl-5-[6-[4-(2-propan-2-yl-3H-pyrrol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole;2-propan-2-yl-5-[2-(2-propan-2-yl-3H-pyrrol-4-yl)thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazole
CID 159153419
10-[3-fluoro-4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-4-propan-2-yl-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 157225053
2-propan-2-yl-6-(2-propan-2-yl-1,4-dihydroindeno[2,1-b]pyrrol-6-yl)-1,4-dihydroindeno[2,1-b]pyrrole;2-propan-2-yl-5-[7-(2-propan-2-yl-1H-imidazol-5-yl)-9H-fluoren-2-yl]-3H-indole;2-propan-2-yl-6-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]-1,4-dihydroindeno[2,1-b]pyrrole;2-propan-2-yl-6-[6-(2-propan-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1,4-dihydroindeno[2,1-b]pyrrole;2-propan-2-yl-5-[7-(2-propan-2-yl-3H-pyrrol-4-yl)-9H-fluoren-2-yl]-1H-imidazole;2-propan-2-yl-5-[6-[4-(2-propan-2-yl-3H-pyrrol-4-yl)phenyl]naphthalen-2-yl]-1H-imidazole;2-propan-2-yl-5-[2-(2-propan-2-yl-3H-pyrrol-4-yl)thieno[2,3-f][1]benzothiol-6-yl]-1H-imidazole
CID 160704237
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123196921
2-methyl-5-[3-(2-propan-2-yl-1H-imidazol-5-yl)-6H-benzo[c]chromen-8-yl]-1H-imidazole
CID 134270701
2-propan-2-yl-5-[2-(2-propan-2-yl-1H-imidazol-5-yl)-6H-naphtho[1,2-c]isochromen-8-yl]-1H-imidazole
CID 118569255
1-[5-[7-[2-(1-amino-2-methylpropyl)-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 123475669
11-(2-propan-2-yl-1H-imidazol-5-yl)-6-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d]pyrimidine
CID 159065421
5-[9,10-dimethyl-7-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthren-2-yl]-2-propan-2-yl-1H-imidazole;8,20-di(propan-2-yl)-7,9,19,21-tetrazaheptacyclo[13.10.0.02,13.04,11.06,10.017,24.018,22]pentacosa-1(25),2,4(11),6(10),8,12,15,17(24),18(22),19-decaene;8,20-di(propan-2-yl)-7,9,19,21-tetrazaheptacyclo[13.10.0.02,13.05,12.06,10.016,23.018,22]pentacosa-1(15),2(13),3,5(12),6(10),7,16(23),20,24-nonaene;8,20-di(propan-2-yl)-7,19,21-triazaheptacyclo[13.10.0.02,13.04,11.06,10.016,23.018,22]pentacosa-1(15),2,4(11),6(10),7,12,16(23),18(22),20,24-decaene;methane;6-propan-2-yl-16-(2-propan-2-yl-1H-imidazol-5-yl)-5-azapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene;2-propan-2-yl-5-[9-(2-propan-2-yl-1H-imidazol-5-yl)-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaenyl]-3H-indole;2-propan-2-yl-5-[9-(2-propan-2-yl-3H-pyrrol-4-yl)-11H-benzo[a]fluoren-3-yl]-1H-imidazole;6-propan-2-yl-16-(2-propan-2-yl-3H-pyrrol-4-yl)-5,7-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13(18),14,16-octaene;2-propan-2-yl-5-[9-(2-propan-2-yl-3H-pyrrol-4-yl)-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaenyl]-1H-imidazole
CID 159423994
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
4-propan-2-yl-10-[6-(2-propan-2-yl-1H-imidazol-5-yl)quinolin-2-yl]-3,15,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 157065670

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole?
The IUPAC name of 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole (CID 159911025) is 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole.
What is the SMILES notation for 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole?
The canonical SMILES for 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole is CC(C)C1=NC2=C(C1)c1ccc(-c3ccc(-c4cnc(C(C)C)[nH]4)c4nccnc34)cc1C2.
What is the InChIKey of 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole?
The InChIKey is YCSHOENHNWIXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5/c1-15(2)23-13-22-19-6-5-17(11-18(19)12-24(22)32-23)20-7-8-21(27-26(20)29-9-10-30-27)25-14-31-28(33-25)16(3)4/h5-11,14-16H,12-13H2,1-4H3,(H,31,33).
What are the key properties of 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole?
2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole has a molecular weight of 433.56 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[8-(2-propan-2-yl-1H-imidazol-5-yl)quinoxalin-5-yl]-1,4-dihydroindeno[2,1-b]pyrrole is sourced from PubChem (CID 159911025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).