methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate

C11H13N5O3 — CID 71295736

IUPACmethyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate
SMILESCCNC(=O)c1nc(-c2ncc[nH]2)c(C(=O)OC)[nH]1
InChIInChI=1S/C11H13N5O3/c1-3-12-10(17)9-15-6(8-13-4-5-14-8)7(16-9)11(18)19-2/h4-5H,3H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyHEPFJINUAWEEDF-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.34
Rot. Bonds4

About methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate

methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate (PubChem CID 71295736) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate
PubChem CID71295736
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Namemethyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate
SMILESCCNC(=O)c1nc(-c2ncc[nH]2)c(C(=O)OC)[nH]1
InChIInChI=1S/C11H13N5O3/c1-3-12-10(17)9-15-6(8-13-4-5-14-8)7(16-9)11(18)19-2/h4-5H,3H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyHEPFJINUAWEEDF-UHFFFAOYSA-N
XLogP0.34
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate (CID 71295736) is methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate is CCNC(=O)c1nc(-c2ncc[nH]2)c(C(=O)OC)[nH]1.
What is the InChIKey of methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate?
The InChIKey is HEPFJINUAWEEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-3-12-10(17)9-15-6(8-13-4-5-14-8)7(16-9)11(18)19-2/h4-5H,3H2,1-2H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate?
methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate has a molecular weight of 263.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylcarbamoyl)-4-(1H-imidazol-2-yl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 71295736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).