(2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate

C10H16N2O3 — CID 22938859

IUPAC(2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate
SMILESCCCn1c(CC)nc(C)c1OC(=O)O
InChIInChI=1S/C10H16N2O3/c1-4-6-12-8(5-2)11-7(3)9(12)15-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyZYGADQOEUFBULV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.22
Rot. Bonds4

About (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate

(2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate (PubChem CID 22938859) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate
PubChem CID22938859
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate
SMILESCCCn1c(CC)nc(C)c1OC(=O)O
InChIInChI=1S/C10H16N2O3/c1-4-6-12-8(5-2)11-7(3)9(12)15-10(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyZYGADQOEUFBULV-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

Analyze (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-methoxy-2,5-dimethylimidazole-1-carboxylate
CID 45119434
(2-Chloro-1,5-dimethylimidazol-4-yl) ethyl carbonate
CID 21652110
(2-Chloro-3,5-dimethylimidazol-4-yl) ethyl carbonate
CID 21652111
(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 22938625
(2-Ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate
CID 22938837
5-Methoxy-1,2,4-trimethylimidazole
CID 58059400
(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate
CID 70458790
(3-Methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl) formate
CID 153217236
2,4-Dimethoxy-1,5-dimethylimidazole
CID 166934981
(1,5-Dimethylimidazol-4-yl) formate
CID 174298744
(3,5-Dimethylimidazol-4-yl) formate
CID 174396846
Methyl 5-methoxy-2,4-dimethylimidazole-1-carboxylate
CID 13085886

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate?
The IUPAC name of (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate (CID 22938859) is (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate?
The canonical SMILES for (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate is CCCn1c(CC)nc(C)c1OC(=O)O.
What is the InChIKey of (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate?
The InChIKey is ZYGADQOEUFBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-6-12-8(5-2)11-7(3)9(12)15-10(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of (2-ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate?
(2-ethyl-5-methyl-3-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-3-propylimidazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 22938859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).