5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine

C20H21BrCl2N9P — CID 162089581

IUPAC5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine
SMILESBrc1c(NC2=NCCN2)ccc2nccnc12.PNc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C11H10BrN5.C9H11Cl2N4P/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;10-6-3-5(15-16)4-7(11)8(6)14-9-12-1-2-13-9/h1-4H,5-6H2,(H2,15,16,17);3-4,15H,1-2,16H2,(H2,12,13,14)
InChIKeyZDKPFAGLKRYMOL-UHFFFAOYSA-N
MW569.24 g/mol
LogP4.33
Rot. Bonds3

About 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine (PubChem CID 162089581) has the molecular formula C20H21BrCl2N9P and a molecular weight of 569.24 g/mol. Its IUPAC name is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine.

Molecular Properties

Compound Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine
PubChem CID162089581
Molecular FormulaC20H21BrCl2N9P
Molecular Weight569.24 g/mol
Exact Mass567.02
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine
SMILESBrc1c(NC2=NCCN2)ccc2nccnc12.PNc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C11H10BrN5.C9H11Cl2N4P/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;10-6-3-5(15-16)4-7(11)8(6)14-9-12-1-2-13-9/h1-4H,5-6H2,(H2,15,16,17);3-4,15H,1-2,16H2,(H2,12,13,14)
InChIKeyZDKPFAGLKRYMOL-UHFFFAOYSA-N
XLogP4.33
TPSA110.65 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.24
LogP ≤ 54.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine with MolForge

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Related Compounds

5-bromo-N-(1-methanidyl-4,5-dihydroimidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(1-methanidyl-4,5-dihydroimidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine;bis(yttrium);dihydrate
CID 158141351
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
CID 3086326
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid
CID 56832504
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron
CID 25137926
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107611250
N-(2-bromo-3-chloro-5-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922089
5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine
CID 143031544
4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine
CID 18379867
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
CID 59164147
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
CID 155256199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine?
The IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine (CID 162089581) is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine.
What is the SMILES notation for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine?
The canonical SMILES for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine is Brc1c(NC2=NCCN2)ccc2nccnc12.PNc1cc(Cl)c(NC2=NCCN2)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine?
The InChIKey is ZDKPFAGLKRYMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5.C9H11Cl2N4P/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;10-6-3-5(15-16)4-7(11)8(6)14-9-12-1-2-13-9/h1-4H,5-6H2,(H2,15,16,17);3-4,15H,1-2,16H2,(H2,12,13,14).
What are the key properties of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine?
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine has a molecular weight of 569.24 g/mol, XLogP of 4.33, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine is sourced from PubChem (CID 162089581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).