5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid

C20H26BrN5O4 — CID 56832504

IUPAC5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid
SMILESBrc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C11H10BrN5.C9H16O4/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-4H,5-6H2,(H2,15,16,17);1-7H2,(H,10,11)(H,12,13)
InChIKeyMNDRBUJSAZDTBG-UHFFFAOYSA-N
MW480.36 g/mol
LogP3.65
Rot. Bonds9

About 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid (PubChem CID 56832504) has the molecular formula C20H26BrN5O4 and a molecular weight of 480.36 g/mol. Its IUPAC name is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid.

Molecular Properties

Compound Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid
PubChem CID56832504
Molecular FormulaC20H26BrN5O4
Molecular Weight480.36 g/mol
Exact Mass479.12
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid
SMILESBrc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C11H10BrN5.C9H16O4/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-4H,5-6H2,(H2,15,16,17);1-7H2,(H,10,11)(H,12,13)
InChIKeyMNDRBUJSAZDTBG-UHFFFAOYSA-N
XLogP3.65
TPSA136.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron
CID 25137926
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
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
CID 90456028
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 101483266
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-(4,5-dihydro-1H-imidazol-2-yl)-4-iodo-1H-benzimidazol-5-amine
CID 12968438
N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 86008018
N-benzyl-5-bromoquinoxalin-6-amine
CID 130538129
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-3,4-dihydro-2H-quinoxalin-6-amine
CID 15225712
4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid
CID 20619265
methyl 4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylbenzoate
CID 12769659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid?
The IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid (CID 56832504) is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid.
What is the SMILES notation for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid?
The canonical SMILES for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid is Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid?
The InChIKey is MNDRBUJSAZDTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5.C9H16O4/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-4H,5-6H2,(H2,15,16,17);1-7H2,(H,10,11)(H,12,13).
What are the key properties of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid?
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid has a molecular weight of 480.36 g/mol, XLogP of 3.65, 9 rotatable bonds, 4 hydrogen bond donors, and 7 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;nonanedioic acid is sourced from PubChem (CID 56832504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).