2-cyclopentyl-1H-imidazole-5-carboxylic acid

C9H12N2O2 — CID 3011561

IUPAC2-cyclopentyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCC2)[nH]1
InChIInChI=1S/C9H12N2O2/c12-9(13)7-5-10-8(11-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyRMJVBXKXQDZQPP-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.77
Rot. Bonds2

About 2-cyclopentyl-1H-imidazole-5-carboxylic acid

2-cyclopentyl-1H-imidazole-5-carboxylic acid (PubChem CID 3011561) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopentyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-1H-imidazole-5-carboxylic acid
PubChem CID3011561
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyclopentyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCC2)[nH]1
InChIInChI=1S/C9H12N2O2/c12-9(13)7-5-10-8(11-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyRMJVBXKXQDZQPP-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-1H-imidazole-5-carboxylic acid (CID 3011561) is 2-cyclopentyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-1H-imidazole-5-carboxylic acid?
The InChIKey is RMJVBXKXQDZQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)7-5-10-8(11-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 2-cyclopentyl-1H-imidazole-5-carboxylic acid?
2-cyclopentyl-1H-imidazole-5-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 3011561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).