2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid

C14H20N2O2 — CID 3006275

IUPAC2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCC2)[nH]c1C1CCCC1
InChIInChI=1S/C14H20N2O2/c17-14(18)12-11(9-5-1-2-6-9)15-13(16-12)10-7-3-4-8-10/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyWZXFDGDPXVDZIR-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.42
Rot. Bonds3

About 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid

2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid (PubChem CID 3006275) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid
PubChem CID3006275
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCC2)[nH]c1C1CCCC1
InChIInChI=1S/C14H20N2O2/c17-14(18)12-11(9-5-1-2-6-9)15-13(16-12)10-7-3-4-8-10/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyWZXFDGDPXVDZIR-UHFFFAOYSA-N
XLogP3.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid (CID 3006275) is 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(C2CCCC2)[nH]c1C1CCCC1.
What is the InChIKey of 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid?
The InChIKey is WZXFDGDPXVDZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)12-11(9-5-1-2-6-9)15-13(16-12)10-7-3-4-8-10/h9-10H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid?
2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopentyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 3006275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).