ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate

C12H20N2O2 — CID 10727861

IUPACethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(C)C)[nH]1
InChIInChI=1S/C12H20N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyFFDSJBWSNBRUIV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.66
Rot. Bonds5

About ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate

ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate (PubChem CID 10727861) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate
PubChem CID10727861
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(C)C)[nH]1
InChIInChI=1S/C12H20N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyFFDSJBWSNBRUIV-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate (CID 10727861) is ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate is CCCc1nc(C(=O)OCC)c(C(C)C)[nH]1.
What is the InChIKey of ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate?
The InChIKey is FFDSJBWSNBRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-7-9-13-10(8(3)4)11(14-9)12(15)16-6-2/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate?
ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-yl-2-propyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 10727861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).