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

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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).