2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide

C11H10N6O2 — CID 830073

IUPAC2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide
SMILESCNC(=O)C(C#N)=NNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N6O2/c1-13-10(18)9(5-12)17-16-6-2-3-7-8(4-6)15-11(19)14-7/h2-4,16H,1H3,(H,13,18)(H2,14,15,19)
InChIKeyMJRYLAURJDXDQJ-UHFFFAOYSA-N
MW258.24 g/mol
LogP-0.11
Rot. Bonds3

About 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide

2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide (PubChem CID 830073) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide.

Molecular Properties

Compound Name2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide
PubChem CID830073
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide
SMILESCNC(=O)C(C#N)=NNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N6O2/c1-13-10(18)9(5-12)17-16-6-2-3-7-8(4-6)15-11(19)14-7/h2-4,16H,1H3,(H,13,18)(H2,14,15,19)
InChIKeyMJRYLAURJDXDQJ-UHFFFAOYSA-N
XLogP-0.11
TPSA125.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide?
The IUPAC name of 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide (CID 830073) is 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide.
What is the SMILES notation for 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide?
The canonical SMILES for 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide is CNC(=O)C(C#N)=NNc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide?
The InChIKey is MJRYLAURJDXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-13-10(18)9(5-12)17-16-6-2-3-7-8(4-6)15-11(19)14-7/h2-4,16H,1H3,(H,13,18)(H2,14,15,19).
What are the key properties of 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide?
2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide has a molecular weight of 258.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-oxo-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethanimidoyl cyanide is sourced from PubChem (CID 830073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).