1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide

C9H14N4O2 — CID 6168

IUPAC1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide
SMILESCCn1cnc(C(=O)NC)c1C(=O)NC
InChIInChI=1S/C9H14N4O2/c1-4-13-5-12-6(8(14)10-2)7(13)9(15)11-3/h5H,4H2,1-3H3,(H,10,14)(H,11,15)
InChIKeyRYRFAMRQBZNEPX-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.38
Rot. Bonds3

About 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide

1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide (PubChem CID 6168) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide
PubChem CID6168
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide
SMILESCCn1cnc(C(=O)NC)c1C(=O)NC
InChIInChI=1S/C9H14N4O2/c1-4-13-5-12-6(8(14)10-2)7(13)9(15)11-3/h5H,4H2,1-3H3,(H,10,14)(H,11,15)
InChIKeyRYRFAMRQBZNEPX-UHFFFAOYSA-N
XLogP-0.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
CID 101504
1H-Imidazole-4,5-dicarboxamide
CID 65745
9-Ethylguanine
CID 135415584
Ait-034
CID 135484546
2,9-Diacetylguanine
CID 135433594
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
2-amino-9-propyl-3H-purin-6-one
CID 135415585
Pentylguanine
CID 135415587
5-Amino-N1-methyl-1H-imidazole-1,4-dicarboxamide
CID 11041381
Ilp-II-125
CID 24793388
4-N,4-N,5-N,5-N-tetraethyl-1H-imidazole-4,5-dicarboxamide
CID 44141956
N4,N4,N5,N5-tetraethyl-1-methylimidazole-4,5-dicarboxamide
CID 44201399

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide (CID 6168) is 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide is CCn1cnc(C(=O)NC)c1C(=O)NC.
What is the InChIKey of 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide?
The InChIKey is RYRFAMRQBZNEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-13-5-12-6(8(14)10-2)7(13)9(15)11-3/h5H,4H2,1-3H3,(H,10,14)(H,11,15).
What are the key properties of 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide?
1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 6168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).