2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid

C36H22N10O4 — CID 139212874

IUPAC2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4c(c3)ncc3nccn34)[nH]c2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)ncc3nccn34)[nH]c2c1
InChIInChI=1S/2C18H11N5O2/c2*24-18(25)11-1-3-12-13(8-11)22-17(21-12)10-2-4-15-14(7-10)20-9-16-19-5-6-23(15)16/h2*1-9H,(H,21,22)(H,24,25)
InChIKeyMXQNOVVUEBGHRR-UHFFFAOYSA-N
MW658.64 g/mol
LogP6.25
Rot. Bonds4

About 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid

2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 139212874) has the molecular formula C36H22N10O4 and a molecular weight of 658.64 g/mol. Its IUPAC name is 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID139212874
Molecular FormulaC36H22N10O4
Molecular Weight658.64 g/mol
Exact Mass658.18
IUPAC Name2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc4c(c3)ncc3nccn34)[nH]c2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)ncc3nccn34)[nH]c2c1
InChIInChI=1S/2C18H11N5O2/c2*24-18(25)11-1-3-12-13(8-11)22-17(21-12)10-2-4-15-14(7-10)20-9-16-19-5-6-23(15)16/h2*1-9H,(H,21,22)(H,24,25)
InChIKeyMXQNOVVUEBGHRR-UHFFFAOYSA-N
XLogP6.25
TPSA192.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.64
LogP ≤ 56.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(5-Carboxy-1h-benzo[d]-imidazol-2-ylmethyl)pyridinium chloride
CID 50907898
4-(3-Ethynylanilino)-2-pyridin-3-ylpyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71739433
4-(3-Ethynylanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71741292
4-(3-Ethynylanilino)pyrrolo[1,2-a]quinoxaline-8-carboxylic acid
CID 71741294
4-{[(1r,4r)-4-Hydroxycyclohexyl]amino}imidazo[1,2-a]quinoxaline-8-carboxylic acid
CID 72163962
4-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-a]quinoxaline-7-carboxylic acid
CID 72163963
1-cyclohexyl-2-(1H-imidazol-2-yl)benzimidazole-5-carboxylic acid
CID 491097
1-cyclohexyl-2-(1H-pyrrol-2-yl)benzimidazole-5-carboxylic acid
CID 513911
2-(Pyridin-2-yl)-1H-benzo[d]imidazole-6-carboxylic acid
CID 513895
2-(1H-Indol-5-yl)-3-(isopropyl(methyl)amino)quinoxaline-6-carboxylic acid
CID 50991400
US10781185, Example 88
CID 68063132
2-(3-Pyridinyl)-1H-benzimidazole-6-carboxylic acid
CID 2771805

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid (CID 139212874) is 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc4c(c3)ncc3nccn34)[nH]c2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)ncc3nccn34)[nH]c2c1.
What is the InChIKey of 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is MXQNOVVUEBGHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11N5O2/c2*24-18(25)11-1-3-12-13(8-11)22-17(21-12)10-2-4-15-14(7-10)20-9-16-19-5-6-23(15)16/h2*1-9H,(H,21,22)(H,24,25).
What are the key properties of 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid?
2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 658.64 g/mol, XLogP of 6.25, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]quinoxalin-7-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 139212874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).