2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid

C11H16N2O3 — CID 116777785

IUPAC2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)[nH]2)CCCCC1
InChIInChI=1S/C11H16N2O3/c1-16-11(5-3-2-4-6-11)10-12-7-8(13-10)9(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVYJWOLSTWWBREV-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid

2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid (PubChem CID 116777785) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
PubChem CID116777785
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
SMILESCOC1(c2ncc(C(=O)O)[nH]2)CCCCC1
InChIInChI=1S/C11H16N2O3/c1-16-11(5-3-2-4-6-11)10-12-7-8(13-10)9(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15)
InChIKeyVYJWOLSTWWBREV-UHFFFAOYSA-N
XLogP1.91
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid (CID 116777785) is 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid is COC1(c2ncc(C(=O)O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is VYJWOLSTWWBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-11(5-3-2-4-6-11)10-12-7-8(13-10)9(14)15/h7H,2-6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid?
2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 116777785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).