4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid

C14H11N3O4 — CID 116520148

IUPAC4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid
SMILESCN1C(=O)Cc2cc(C(=O)c3nc[nH]c3C(=O)O)ccc21
InChIInChI=1S/C14H11N3O4/c1-17-9-3-2-7(4-8(9)5-10(17)18)13(19)11-12(14(20)21)16-6-15-11/h2-4,6H,5H2,1H3,(H,15,16)(H,20,21)
InChIKeyIDXUCHOJCFRBLY-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.86
Rot. Bonds3

About 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid

4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid (PubChem CID 116520148) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid
PubChem CID116520148
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid
SMILESCN1C(=O)Cc2cc(C(=O)c3nc[nH]c3C(=O)O)ccc21
InChIInChI=1S/C14H11N3O4/c1-17-9-3-2-7(4-8(9)5-10(17)18)13(19)11-12(14(20)21)16-6-15-11/h2-4,6H,5H2,1H3,(H,15,16)(H,20,21)
InChIKeyIDXUCHOJCFRBLY-UHFFFAOYSA-N
XLogP0.86
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
4-(3,4-dimethoxybenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520138
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
4-(4-methoxy-3-methylbenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520175
5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43248282
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
4-(1-methyl-2-oxo-3H-indol-5-yl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
CID 82488652

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid (CID 116520148) is 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid is CN1C(=O)Cc2cc(C(=O)c3nc[nH]c3C(=O)O)ccc21.
What is the InChIKey of 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is IDXUCHOJCFRBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-17-9-3-2-7(4-8(9)5-10(17)18)13(19)11-12(14(20)21)16-6-15-11/h2-4,6H,5H2,1H3,(H,15,16)(H,20,21).
What are the key properties of 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid?
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 116520148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).