1-butyl-2-methylimidazole;methyl hydrogen carbonate

C10H18N2O3 — CID 175255728

IUPAC1-butyl-2-methylimidazole;methyl hydrogen carbonate
SMILESCCCCn1ccnc1C.COC(=O)O
InChIInChI=1S/C8H14N2.C2H4O3/c1-3-4-6-10-7-5-9-8(10)2;1-5-2(3)4/h5,7H,3-4,6H2,1-2H3;1H3,(H,3,4)
InChIKeyYHBGJWBQFQCDER-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.30
Rot. Bonds3

About 1-butyl-2-methylimidazole;methyl hydrogen carbonate

1-butyl-2-methylimidazole;methyl hydrogen carbonate (PubChem CID 175255728) has the molecular formula C10H18N2O3 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-butyl-2-methylimidazole;methyl hydrogen carbonate.

Molecular Properties

Compound Name1-butyl-2-methylimidazole;methyl hydrogen carbonate
PubChem CID175255728
Molecular FormulaC10H18N2O3
Molecular Weight214.27 g/mol
Exact Mass214.13
IUPAC Name1-butyl-2-methylimidazole;methyl hydrogen carbonate
SMILESCCCCn1ccnc1C.COC(=O)O
InChIInChI=1S/C8H14N2.C2H4O3/c1-3-4-6-10-7-5-9-8(10)2;1-5-2(3)4/h5,7H,3-4,6H2,1-2H3;1H3,(H,3,4)
InChIKeyYHBGJWBQFQCDER-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
1-butyl-2-methylimidazole;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 173328428
methyl 1-butylimidazole-2-carboxylate
CID 137346516
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
ethyl 4-(2-methylimidazol-1-yl)butanoate
CID 3066545
2-methyl-1-octadec-9-enylimidazole
CID 54514402
N-ethyl-7-(2-methylimidazol-1-yl)heptanamide
CID 54522614
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-(ethylamino)-4-(2-methylimidazol-1-yl)butanoic acid
CID 63038987

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylimidazole;methyl hydrogen carbonate?
The IUPAC name of 1-butyl-2-methylimidazole;methyl hydrogen carbonate (CID 175255728) is 1-butyl-2-methylimidazole;methyl hydrogen carbonate.
What is the SMILES notation for 1-butyl-2-methylimidazole;methyl hydrogen carbonate?
The canonical SMILES for 1-butyl-2-methylimidazole;methyl hydrogen carbonate is CCCCn1ccnc1C.COC(=O)O.
What is the InChIKey of 1-butyl-2-methylimidazole;methyl hydrogen carbonate?
The InChIKey is YHBGJWBQFQCDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H4O3/c1-3-4-6-10-7-5-9-8(10)2;1-5-2(3)4/h5,7H,3-4,6H2,1-2H3;1H3,(H,3,4).
What are the key properties of 1-butyl-2-methylimidazole;methyl hydrogen carbonate?
1-butyl-2-methylimidazole;methyl hydrogen carbonate has a molecular weight of 214.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylimidazole;methyl hydrogen carbonate is sourced from PubChem (CID 175255728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).