5-amino-1,3-dimethylbenzimidazol-2-one;azane

C9H14N4O — CID 67182672

IUPAC5-amino-1,3-dimethylbenzimidazol-2-one;azane
SMILESCn1c(=O)n(C)c2cc(N)ccc21.N
InChIInChI=1S/C9H11N3O.H3N/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;/h3-5H,10H2,1-2H3;1H3
InChIKeyMWSGLYCQSVCTMP-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.62
Rot. Bonds

About 5-amino-1,3-dimethylbenzimidazol-2-one;azane

5-amino-1,3-dimethylbenzimidazol-2-one;azane (PubChem CID 67182672) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-amino-1,3-dimethylbenzimidazol-2-one;azane.

Molecular Properties

Compound Name5-amino-1,3-dimethylbenzimidazol-2-one;azane
PubChem CID67182672
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-amino-1,3-dimethylbenzimidazol-2-one;azane
SMILESCn1c(=O)n(C)c2cc(N)ccc21.N
InChIInChI=1S/C9H11N3O.H3N/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;/h3-5H,10H2,1-2H3;1H3
InChIKeyMWSGLYCQSVCTMP-UHFFFAOYSA-N
XLogP0.62
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylbenzimidazol-2-one;azane?
The IUPAC name of 5-amino-1,3-dimethylbenzimidazol-2-one;azane (CID 67182672) is 5-amino-1,3-dimethylbenzimidazol-2-one;azane.
What is the SMILES notation for 5-amino-1,3-dimethylbenzimidazol-2-one;azane?
The canonical SMILES for 5-amino-1,3-dimethylbenzimidazol-2-one;azane is Cn1c(=O)n(C)c2cc(N)ccc21.N.
What is the InChIKey of 5-amino-1,3-dimethylbenzimidazol-2-one;azane?
The InChIKey is MWSGLYCQSVCTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.H3N/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13;/h3-5H,10H2,1-2H3;1H3.
What are the key properties of 5-amino-1,3-dimethylbenzimidazol-2-one;azane?
5-amino-1,3-dimethylbenzimidazol-2-one;azane has a molecular weight of 194.24 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylbenzimidazol-2-one;azane is sourced from PubChem (CID 67182672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).