1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid

C12H18N2O3 — CID 69197750

IUPAC1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cn1C1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-17-8-11-13-10(12(15)16)7-14(11)9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyIYGWFWDWVZZBPK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.23
Rot. Bonds4

About 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid

1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid (PubChem CID 69197750) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid
PubChem CID69197750
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cn1C1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-17-8-11-13-10(12(15)16)7-14(11)9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyIYGWFWDWVZZBPK-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid (CID 69197750) is 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid is COCc1nc(C(=O)O)cn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid?
The InChIKey is IYGWFWDWVZZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-8-11-13-10(12(15)16)7-14(11)9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid?
1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(methoxymethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 69197750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).