1-(6-amino-1H-benzimidazol-2-yl)ethanone

C9H9N3O — CID 83428502

IUPAC1-(6-amino-1H-benzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C9H9N3O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-4H,10H2,1H3,(H,11,12)
InChIKeyABAZDWUZJHQQCC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.35
Rot. Bonds1

About 1-(6-amino-1H-benzimidazol-2-yl)ethanone

1-(6-amino-1H-benzimidazol-2-yl)ethanone (PubChem CID 83428502) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(6-amino-1H-benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-1H-benzimidazol-2-yl)ethanone
PubChem CID83428502
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(6-amino-1H-benzimidazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C9H9N3O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-4H,10H2,1H3,(H,11,12)
InChIKeyABAZDWUZJHQQCC-UHFFFAOYSA-N
XLogP1.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
2-propanimidoyl-3H-benzimidazol-5-amine
CID 170117791
1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
CID 76849353
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 91420963
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
4-(6-amino-1H-benzimidazol-2-yl)benzoic acid;dihydrochloride
CID 17385553
(1R,2S)-1,2-bis(6-amino-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 765476
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635
2-(trifluoromethyl)-3H-benzimidazol-5-amine;dihydrochloride
CID 6431732
tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
CID 114517994

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1H-benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(6-amino-1H-benzimidazol-2-yl)ethanone (CID 83428502) is 1-(6-amino-1H-benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(6-amino-1H-benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(6-amino-1H-benzimidazol-2-yl)ethanone is CC(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 1-(6-amino-1H-benzimidazol-2-yl)ethanone?
The InChIKey is ABAZDWUZJHQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 1-(6-amino-1H-benzimidazol-2-yl)ethanone?
1-(6-amino-1H-benzimidazol-2-yl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1H-benzimidazol-2-yl)ethanone is sourced from PubChem (CID 83428502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).