3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid

C16H18N2O2 — CID 154164416

IUPAC3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid
SMILESCC1(C)Cc2ccccc2C1(C)n1cncc1C(=O)O
InChIInChI=1S/C16H18N2O2/c1-15(2)8-11-6-4-5-7-12(11)16(15,3)18-10-17-9-13(18)14(19)20/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeySUGDFBFWUBCUHM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.93
Rot. Bonds2

About 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid

3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid (PubChem CID 154164416) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid
PubChem CID154164416
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid
SMILESCC1(C)Cc2ccccc2C1(C)n1cncc1C(=O)O
InChIInChI=1S/C16H18N2O2/c1-15(2)8-11-6-4-5-7-12(11)16(15,3)18-10-17-9-13(18)14(19)20/h4-7,9-10H,8H2,1-3H3,(H,19,20)
InChIKeySUGDFBFWUBCUHM-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid (CID 154164416) is 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid is CC1(C)Cc2ccccc2C1(C)n1cncc1C(=O)O.
What is the InChIKey of 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid?
The InChIKey is SUGDFBFWUBCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-15(2)8-11-6-4-5-7-12(11)16(15,3)18-10-17-9-13(18)14(19)20/h4-7,9-10H,8H2,1-3H3,(H,19,20).
What are the key properties of 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid?
3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2-trimethyl-3H-inden-1-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 154164416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).