(2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate

C10H16N2O3 — CID 22938837

IUPAC(2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate
SMILESCCCn1c(CC)nc(OC(=O)O)c1C
InChIInChI=1S/C10H16N2O3/c1-4-6-12-7(3)9(15-10(13)14)11-8(12)5-2/h4-6H2,1-3H3,(H,13,14)
InChIKeyMKUPCQAPCWMJDA-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.22
Rot. Bonds4

About (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate

(2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate (PubChem CID 22938837) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate
PubChem CID22938837
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate
SMILESCCCn1c(CC)nc(OC(=O)O)c1C
InChIInChI=1S/C10H16N2O3/c1-4-6-12-7(3)9(15-10(13)14)11-8(12)5-2/h4-6H2,1-3H3,(H,13,14)
InChIKeyMKUPCQAPCWMJDA-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate?
The IUPAC name of (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate (CID 22938837) is (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate?
The canonical SMILES for (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate is CCCn1c(CC)nc(OC(=O)O)c1C.
What is the InChIKey of (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate?
The InChIKey is MKUPCQAPCWMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-6-12-7(3)9(15-10(13)14)11-8(12)5-2/h4-6H2,1-3H3,(H,13,14).
What are the key properties of (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate?
(2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate has a molecular weight of 212.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 22938837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).