5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide

C7H12N4O2 — CID 154498151

IUPAC5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide
SMILESCCC1(C(N)=O)NC=NC1C(N)=O
InChIInChI=1S/C7H12N4O2/c1-2-7(6(9)13)4(5(8)12)10-3-11-7/h3-4H,2H2,1H3,(H2,8,12)(H2,9,13)(H,10,11)
InChIKeyPAEPGHYNJYFILL-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.89
Rot. Bonds3

About 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide

5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide (PubChem CID 154498151) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide
PubChem CID154498151
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide
SMILESCCC1(C(N)=O)NC=NC1C(N)=O
InChIInChI=1S/C7H12N4O2/c1-2-7(6(9)13)4(5(8)12)10-3-11-7/h3-4H,2H2,1H3,(H2,8,12)(H2,9,13)(H,10,11)
InChIKeyPAEPGHYNJYFILL-UHFFFAOYSA-N
XLogP-1.89
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide?
The IUPAC name of 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide (CID 154498151) is 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide?
The canonical SMILES for 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide is CCC1(C(N)=O)NC=NC1C(N)=O.
What is the InChIKey of 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide?
The InChIKey is PAEPGHYNJYFILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-7(6(9)13)4(5(8)12)10-3-11-7/h3-4H,2H2,1H3,(H2,8,12)(H2,9,13)(H,10,11).
What are the key properties of 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide?
5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide has a molecular weight of 184.20 g/mol, XLogP of -1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dihydroimidazole-4,5-dicarboxamide is sourced from PubChem (CID 154498151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).