2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid

C14H13N3O2 — CID 82299158

IUPAC2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
SMILESCc1[nH]c2ccccc2c1-c1nc[nH]c1CC(=O)O
InChIInChI=1S/C14H13N3O2/c1-8-13(9-4-2-3-5-10(9)17-8)14-11(6-12(18)19)15-7-16-14/h2-5,7,17H,6H2,1H3,(H,15,16)(H,18,19)
InChIKeyVREBEKNVFTULKX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.49
Rot. Bonds3

About 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid

2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid (PubChem CID 82299158) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
PubChem CID82299158
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
SMILESCc1[nH]c2ccccc2c1-c1nc[nH]c1CC(=O)O
InChIInChI=1S/C14H13N3O2/c1-8-13(9-4-2-3-5-10(9)17-8)14-11(6-12(18)19)15-7-16-14/h2-5,7,17H,6H2,1H3,(H,15,16)(H,18,19)
InChIKeyVREBEKNVFTULKX-UHFFFAOYSA-N
XLogP2.49
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
CID 82292793
2-[4-(2-methyl-1H-indol-3-yl)imidazol-1-yl]acetic acid
CID 82299162
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
2-[4-(2,4,5-trimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82294241
2-(3-formyl-1H-indol-2-yl)acetic acid
CID 14636516
4-bromo-1-methyl-5-(2-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136967005
1-[4-(2-methyl-1H-indol-3-yl)pyrimidin-2-yl]ethanone
CID 116901481
4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82299159
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 82482484
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
3-bromo-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11522357

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid (CID 82299158) is 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid is Cc1[nH]c2ccccc2c1-c1nc[nH]c1CC(=O)O.
What is the InChIKey of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is VREBEKNVFTULKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-13(9-4-2-3-5-10(9)17-8)14-11(6-12(18)19)15-7-16-14/h2-5,7,17H,6H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid?
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 255.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82299158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).