(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate

C6H8N2O3 — CID 70458790

IUPAC(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate
SMILESCc1nc(OC(=O)O)c(C)[nH]1
InChIInChI=1S/C6H8N2O3/c1-3-5(11-6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10)
InChIKeyIERQKOZWIKTEAM-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.08
Rot. Bonds1

About (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate

(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate (PubChem CID 70458790) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate
PubChem CID70458790
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate
SMILESCc1nc(OC(=O)O)c(C)[nH]1
InChIInChI=1S/C6H8N2O3/c1-3-5(11-6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10)
InChIKeyIERQKOZWIKTEAM-UHFFFAOYSA-N
XLogP1.08
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,5-dimethyl-1H-imidazole
CID 13085889
(2-bromo-5-methyl-1H-imidazol-4-yl) carbamate
CID 20256498
(2-chloro-5-methyl-1H-imidazol-4-yl) ethyl carbonate
CID 21652109
(2-chloro-5-methyl-1H-imidazol-4-yl) methyl carbonate
CID 21652115
(2-ethyl-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 22938625
(2-Ethyl-5-methyl-1-propylimidazol-4-yl) hydrogen carbonate
CID 22938837
(2-Ethyl-5-methyl-3-propylimidazol-4-yl) hydrogen carbonate
CID 22938859
(2,5-dimethyl-1H-imidazol-4-yl) acetate
CID 57106450
ethyl (5-methyl-1H-imidazol-4-yl) carbonate
CID 66668891
2,4-dimethoxy-5-methyl-1H-imidazole
CID 68982657
(2-ethyl-5-methyl-1H-imidazol-4-yl) cyanate
CID 69462655
(2-bromo-5-methyl-1H-imidazol-4-yl) hydrogen carbonate
CID 70426134

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate?
The IUPAC name of (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate (CID 70458790) is (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate?
The canonical SMILES for (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate is Cc1nc(OC(=O)O)c(C)[nH]1.
What is the InChIKey of (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate?
The InChIKey is IERQKOZWIKTEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-5(11-6(9)10)8-4(2)7-3/h1-2H3,(H,7,8)(H,9,10).
What are the key properties of (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate?
(2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate has a molecular weight of 156.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1H-imidazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 70458790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).