2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid

C13H11N3O2 — CID 82387535

IUPAC2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1ccc2[nH]cc(-c3ncc(C(=O)O)[nH]3)c2c1
InChIInChI=1S/C13H11N3O2/c1-7-2-3-10-8(4-7)9(5-14-10)12-15-6-11(16-12)13(17)18/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyCLZROZITJCVROD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.56
Rot. Bonds2

About 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid

2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 82387535) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
PubChem CID82387535
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
SMILESCc1ccc2[nH]cc(-c3ncc(C(=O)O)[nH]3)c2c1
InChIInChI=1S/C13H11N3O2/c1-7-2-3-10-8(4-7)9(5-14-10)12-15-6-11(16-12)13(17)18/h2-6,14H,1H3,(H,15,16)(H,17,18)
InChIKeyCLZROZITJCVROD-UHFFFAOYSA-N
XLogP2.56
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
CID 136985979
2-[2-(2,4-dimethylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82478341
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 118292950
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
3-(3-methylphenyl)-1H-indole-5-carboxylic acid
CID 171776998
(2-deuterio-3,4,5-trimethoxyphenyl)-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 176847172
N-(1H-indol-3-yl)-2-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 170195033
5-(5-hydroxy-1H-indol-3-yl)-1H-imidazole-2-carboxylic acid
CID 82386599
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid (CID 82387535) is 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid is Cc1ccc2[nH]cc(-c3ncc(C(=O)O)[nH]3)c2c1.
What is the InChIKey of 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is CLZROZITJCVROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-2-3-10-8(4-7)9(5-14-10)12-15-6-11(16-12)13(17)18/h2-6,14H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid?
2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82387535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).