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

C7H10N2O3 — CID 22938625

IUPAC(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
SMILESCCc1nc(OC(=O)O)c(C)[nH]1
InChIInChI=1S/C7H10N2O3/c1-3-5-8-4(2)6(9-5)12-7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyRVKDHHFGWYNYKK-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.34
Rot. Bonds2

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

(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate (PubChem CID 22938625) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
PubChem CID22938625
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
SMILESCCc1nc(OC(=O)O)c(C)[nH]1
InChIInChI=1S/C7H10N2O3/c1-3-5-8-4(2)6(9-5)12-7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyRVKDHHFGWYNYKK-UHFFFAOYSA-N
XLogP1.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate?
The IUPAC name of (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate (CID 22938625) is (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate?
The canonical SMILES for (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate is CCc1nc(OC(=O)O)c(C)[nH]1.
What is the InChIKey of (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate?
The InChIKey is RVKDHHFGWYNYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-5-8-4(2)6(9-5)12-7(10)11/h3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate?
(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate has a molecular weight of 170.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 22938625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).