1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea

C7H6N6O — CID 71385666

IUPAC1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C7H6N6O/c1-10-7(14)13-6-11-4(2-8)5(3-9)12-6/h1H3,(H3,10,11,12,13,14)
InChIKeyCFBARJSUPLMAFJ-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.10
Rot. Bonds1

About 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea

1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea (PubChem CID 71385666) has the molecular formula C7H6N6O and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea
PubChem CID71385666
Molecular FormulaC7H6N6O
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C7H6N6O/c1-10-7(14)13-6-11-4(2-8)5(3-9)12-6/h1H3,(H3,10,11,12,13,14)
InChIKeyCFBARJSUPLMAFJ-UHFFFAOYSA-N
XLogP-0.10
TPSA117.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea?
The IUPAC name of 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea (CID 71385666) is 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea.
What is the SMILES notation for 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea?
The canonical SMILES for 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea is CNC(=O)Nc1nc(C#N)c(C#N)[nH]1.
What is the InChIKey of 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea?
The InChIKey is CFBARJSUPLMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O/c1-10-7(14)13-6-11-4(2-8)5(3-9)12-6/h1H3,(H3,10,11,12,13,14).
What are the key properties of 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea?
1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea has a molecular weight of 190.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea is sourced from PubChem (CID 71385666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).