6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one

C11H9N3O — CID 45078064

IUPAC6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one
SMILESNc1cccc2c1ccc1[nH]c(=O)[nH]c12
InChIInChI=1S/C11H9N3O/c12-8-3-1-2-7-6(8)4-5-9-10(7)14-11(15)13-9/h1-5H,12H2,(H2,13,14,15)
InChIKeySSPYYOFYWBCORO-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.59
Rot. Bonds

About 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one

6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one (PubChem CID 45078064) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one.

Molecular Properties

Compound Name6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one
PubChem CID45078064
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one
SMILESNc1cccc2c1ccc1[nH]c(=O)[nH]c12
InChIInChI=1S/C11H9N3O/c12-8-3-1-2-7-6(8)4-5-9-10(7)14-11(15)13-9/h1-5H,12H2,(H2,13,14,15)
InChIKeySSPYYOFYWBCORO-UHFFFAOYSA-N
XLogP1.59
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one?
The IUPAC name of 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one (CID 45078064) is 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one.
What is the SMILES notation for 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one?
The canonical SMILES for 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one is Nc1cccc2c1ccc1[nH]c(=O)[nH]c12.
What is the InChIKey of 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one?
The InChIKey is SSPYYOFYWBCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-8-3-1-2-7-6(8)4-5-9-10(7)14-11(15)13-9/h1-5H,12H2,(H2,13,14,15).
What are the key properties of 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one?
6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one has a molecular weight of 199.21 g/mol, XLogP of 1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dihydrobenzo[e]benzimidazol-2-one is sourced from PubChem (CID 45078064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).