4-amino-1,7a-dihydrobenzimidazol-2-one

C7H7N3O — CID 71303255

IUPAC4-amino-1,7a-dihydrobenzimidazol-2-one
SMILESNC1=CC=CC2NC(=O)N=C12
InChIInChI=1S/C7H7N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3,5H,8H2,(H,9,11)
InChIKeyZIGKAGXCDXDHTG-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.07
Rot. Bonds

About 4-amino-1,7a-dihydrobenzimidazol-2-one

4-amino-1,7a-dihydrobenzimidazol-2-one (PubChem CID 71303255) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-amino-1,7a-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-amino-1,7a-dihydrobenzimidazol-2-one
PubChem CID71303255
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-amino-1,7a-dihydrobenzimidazol-2-one
SMILESNC1=CC=CC2NC(=O)N=C12
InChIInChI=1S/C7H7N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3,5H,8H2,(H,9,11)
InChIKeyZIGKAGXCDXDHTG-UHFFFAOYSA-N
XLogP-0.07
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-5-(3-cyclopropylphenyl)-1,5-dihydroimidazol-2-one
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methyl 2-oxo-1,7a-dihydrobenzimidazole-5-carboxylate
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4-amino-5-[4-(dimethylamino)phenyl]-1,5-dihydroimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,7a-dihydrobenzimidazol-2-one?
The IUPAC name of 4-amino-1,7a-dihydrobenzimidazol-2-one (CID 71303255) is 4-amino-1,7a-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-amino-1,7a-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-amino-1,7a-dihydrobenzimidazol-2-one is NC1=CC=CC2NC(=O)N=C12.
What is the InChIKey of 4-amino-1,7a-dihydrobenzimidazol-2-one?
The InChIKey is ZIGKAGXCDXDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3,5H,8H2,(H,9,11).
What are the key properties of 4-amino-1,7a-dihydrobenzimidazol-2-one?
4-amino-1,7a-dihydrobenzimidazol-2-one has a molecular weight of 149.15 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,7a-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).