methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate

C10H10N2O3 — CID 104807021

IUPACmethyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2occc2C)[nH]1
InChIInChI=1S/C10H10N2O3/c1-6-3-4-15-8(6)9-11-5-7(12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyGCRRBXBTWWCUKJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.76
Rot. Bonds2

About methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate

methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate (PubChem CID 104807021) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate
PubChem CID104807021
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2occc2C)[nH]1
InChIInChI=1S/C10H10N2O3/c1-6-3-4-15-8(6)9-11-5-7(12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12)
InChIKeyGCRRBXBTWWCUKJ-UHFFFAOYSA-N
XLogP1.76
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate
CID 164656292
methyl 2-(5-bromofuran-2-yl)-1H-imidazole-5-carboxylate
CID 62278381
methyl 2-pyrimidin-4-yl-1H-imidazole-5-carboxylate
CID 63989948
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 91048260
methyl 2-(3,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 55050816
methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
CID 63967860
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 2-(3-bromo-4-chlorophenyl)-1H-imidazole-5-carboxylate
CID 115568384
methyl 2-(4-fluoro-3-methoxyphenyl)-1H-imidazole-5-carboxylate
CID 114016258
methyl 2-(1-methyltriazol-4-yl)-1H-imidazole-5-carboxylate
CID 130598798
methyl 2-(4-chlorothiophen-2-yl)-1H-imidazole-5-carboxylate
CID 79426564

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate (CID 104807021) is methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2occc2C)[nH]1.
What is the InChIKey of methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate?
The InChIKey is GCRRBXBTWWCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-4-15-8(6)9-11-5-7(12-9)10(13)14-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate?
methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methylfuran-2-yl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 104807021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).