2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide

C11H14N4O — CID 17010606

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide
SMILESCc1cc2ncn(C/C(N)=N/O)c2cc1C
InChIInChI=1S/C11H14N4O/c1-7-3-9-10(4-8(7)2)15(6-13-9)5-11(12)14-16/h3-4,6,16H,5H2,1-2H3,(H2,12,14)
InChIKeyLORNSYVIZLNMKE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.40
Rot. Bonds2

About 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide

2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide (PubChem CID 17010606) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide
PubChem CID17010606
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide
SMILESCc1cc2ncn(C/C(N)=N/O)c2cc1C
InChIInChI=1S/C11H14N4O/c1-7-3-9-10(4-8(7)2)15(6-13-9)5-11(12)14-16/h3-4,6,16H,5H2,1-2H3,(H2,12,14)
InChIKeyLORNSYVIZLNMKE-UHFFFAOYSA-N
XLogP1.40
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide (CID 17010606) is 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide is Cc1cc2ncn(C/C(N)=N/O)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is LORNSYVIZLNMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-3-9-10(4-8(7)2)15(6-13-9)5-11(12)14-16/h3-4,6,16H,5H2,1-2H3,(H2,12,14).
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 218.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 17010606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).