1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid

C15H15N3O2 — CID 141291233

IUPAC1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid
SMILESCC(C)n1ccc2cc(-n3cnc(C(=O)O)c3)ccc21
InChIInChI=1S/C15H15N3O2/c1-10(2)18-6-5-11-7-12(3-4-14(11)18)17-8-13(15(19)20)16-9-17/h3-10H,1-2H3,(H,19,20)
InChIKeyRLQBICWJXSEHOA-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.11
Rot. Bonds3

About 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid

1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid (PubChem CID 141291233) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid
PubChem CID141291233
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid
SMILESCC(C)n1ccc2cc(-n3cnc(C(=O)O)c3)ccc21
InChIInChI=1S/C15H15N3O2/c1-10(2)18-6-5-11-7-12(3-4-14(11)18)17-8-13(15(19)20)16-9-17/h3-10H,1-2H3,(H,19,20)
InChIKeyRLQBICWJXSEHOA-UHFFFAOYSA-N
XLogP3.11
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid (CID 141291233) is 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid is CC(C)n1ccc2cc(-n3cnc(C(=O)O)c3)ccc21.
What is the InChIKey of 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid?
The InChIKey is RLQBICWJXSEHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(2)18-6-5-11-7-12(3-4-14(11)18)17-8-13(15(19)20)16-9-17/h3-10H,1-2H3,(H,19,20).
What are the key properties of 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid?
1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylindol-5-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 141291233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).