methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate

C12H19N3O2 — CID 103545225

IUPACmethyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C2(C)CCCCC2)c1N
InChIInChI=1S/C12H19N3O2/c1-12(6-4-3-5-7-12)15-8-14-9(10(15)13)11(16)17-2/h8H,3-7,13H2,1-2H3
InChIKeyCBMUHGMERUWSCZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.93
Rot. Bonds2

About methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate

methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate (PubChem CID 103545225) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
PubChem CID103545225
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate
SMILESCOC(=O)c1ncn(C2(C)CCCCC2)c1N
InChIInChI=1S/C12H19N3O2/c1-12(6-4-3-5-7-12)15-8-14-9(10(15)13)11(16)17-2/h8H,3-7,13H2,1-2H3
InChIKeyCBMUHGMERUWSCZ-UHFFFAOYSA-N
XLogP1.93
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate (CID 103545225) is methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate is COC(=O)c1ncn(C2(C)CCCCC2)c1N.
What is the InChIKey of methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate?
The InChIKey is CBMUHGMERUWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(6-4-3-5-7-12)15-8-14-9(10(15)13)11(16)17-2/h8H,3-7,13H2,1-2H3.
What are the key properties of methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate?
methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(1-methylcyclohexyl)imidazole-4-carboxylate is sourced from PubChem (CID 103545225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).