ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate

C10H15N3O3 — CID 846245

IUPACethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NC(C)C
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)8-7(11-5-12-8)9(14)13-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIIHDHETYOVMLFT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.72
Rot. Bonds4

About ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate

ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate (PubChem CID 846245) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
PubChem CID846245
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NC(C)C
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)8-7(11-5-12-8)9(14)13-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyIIHDHETYOVMLFT-UHFFFAOYSA-N
XLogP0.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate (CID 846245) is ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)NC(C)C.
What is the InChIKey of ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
The InChIKey is IIHDHETYOVMLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-10(15)8-7(11-5-12-8)9(14)13-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate?
ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propan-2-ylcarbamoyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 846245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).