1-cycloheptylimidazole-2-carboxylic acid

C11H16N2O2 — CID 130609991

IUPAC1-cycloheptylimidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CCCCCC1
InChIInChI=1S/C11H16N2O2/c14-11(15)10-12-7-8-13(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)
InChIKeyNHGREUIBHCROJB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.48
Rot. Bonds2

About 1-cycloheptylimidazole-2-carboxylic acid

1-cycloheptylimidazole-2-carboxylic acid (PubChem CID 130609991) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-cycloheptylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptylimidazole-2-carboxylic acid
PubChem CID130609991
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-cycloheptylimidazole-2-carboxylic acid
SMILESO=C(O)c1nccn1C1CCCCCC1
InChIInChI=1S/C11H16N2O2/c14-11(15)10-12-7-8-13(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)
InChIKeyNHGREUIBHCROJB-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-1-cyclopentylimidazole-2-carboxylic acid
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N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-1-methylimidazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylimidazole-2-carboxylic acid?
The IUPAC name of 1-cycloheptylimidazole-2-carboxylic acid (CID 130609991) is 1-cycloheptylimidazole-2-carboxylic acid.
What is the SMILES notation for 1-cycloheptylimidazole-2-carboxylic acid?
The canonical SMILES for 1-cycloheptylimidazole-2-carboxylic acid is O=C(O)c1nccn1C1CCCCCC1.
What is the InChIKey of 1-cycloheptylimidazole-2-carboxylic acid?
The InChIKey is NHGREUIBHCROJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11(15)10-12-7-8-13(10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15).
What are the key properties of 1-cycloheptylimidazole-2-carboxylic acid?
1-cycloheptylimidazole-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylimidazole-2-carboxylic acid is sourced from PubChem (CID 130609991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).