methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate

C10H16N2O2 — CID 15819055

IUPACmethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OC)c(CC)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-6-8-11-7(5-2)9(12-8)10(13)14-3/h4-6H2,1-3H3,(H,11,12)
InChIKeyXFYQBFXCDZFUQS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds4

About methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate

methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate (PubChem CID 15819055) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
PubChem CID15819055
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OC)c(CC)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-6-8-11-7(5-2)9(12-8)10(13)14-3/h4-6H2,1-3H3,(H,11,12)
InChIKeyXFYQBFXCDZFUQS-UHFFFAOYSA-N
XLogP1.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate
CID 10562026
ethyl 5-tert-butyl-1H-imidazole-4-carboxylate
CID 21031490
ethyl 2,4-dimethyl-1H-imidazole-5-carboxylate
CID 318417
diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate;hydrochloride
CID 2828838
ST4058398
CID 653376
ethyl 2-methyl-4-(trifluoromethyl)-1H-imidazole-5-carboxylate
CID 83401959
2,5-diisopropyl-1H-imidazole-4-carboxylic acid
CID 3011558
2,5-ditert-butyl-1H-imidazole-4-carboxylic acid
CID 3011560
ethyl 2-amino-4-ethyl-1H-imidazole-5-carboxylate
CID 137963877
ethyl 2,5-ditert-butyl-1H-imidazole-4-carboxylate
CID 3006267
ethyl 2,5-diisopropyl-1H-imidazole-4-carboxylate
CID 3006269
Ethyl 3-(ethoxymethyl)-2-methyl-5-prop-2-enylimidazole-4-carboxylate
CID 11010453

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate (CID 15819055) is methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate is CCCc1nc(C(=O)OC)c(CC)[nH]1.
What is the InChIKey of methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
The InChIKey is XFYQBFXCDZFUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-8-11-7(5-2)9(12-8)10(13)14-3/h4-6H2,1-3H3,(H,11,12).
What are the key properties of methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 15819055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).