2-amino-3,7a-dihydrobenzimidazol-5-one

C7H7N3O — CID 23644106

IUPAC2-amino-3,7a-dihydrobenzimidazol-5-one
SMILESNC1=NC2C=CC(=O)C=C2N1
InChIInChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,5H,(H3,8,9,10)
InChIKeyYOPQVTNHTJDPMF-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.70
Rot. Bonds

About 2-amino-3,7a-dihydrobenzimidazol-5-one

2-amino-3,7a-dihydrobenzimidazol-5-one (PubChem CID 23644106) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-amino-3,7a-dihydrobenzimidazol-5-one.

Molecular Properties

Compound Name2-amino-3,7a-dihydrobenzimidazol-5-one
PubChem CID23644106
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-amino-3,7a-dihydrobenzimidazol-5-one
SMILESNC1=NC2C=CC(=O)C=C2N1
InChIInChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,5H,(H3,8,9,10)
InChIKeyYOPQVTNHTJDPMF-UHFFFAOYSA-N
XLogP-0.70
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 122691685
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CID 133057029
2-amino-4-(6-methyl-3-pyridinyl)-1,4-dihydroimidazol-5-one
CID 104824181
(1R)-3-amino-1-(4-propan-2-ylphenyl)-4,5-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one
CID 7646197
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
CID 10154117
6-amino-5,7a-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 76848281
2-amino-4,5,7,9-tetrahydro-1H-purine-6,8-dione
CID 57309538
2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
CID 82996110
2-amino-5-methyl-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
CID 166638391
2-amino-4-(4-fluoro-3-methylphenyl)-1,4-dihydroimidazol-5-one
CID 82997241
2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
CID 22426110
2-amino-4-(6-methoxy-3-pyridinyl)-1,4-dihydroimidazol-5-one
CID 114939075

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7a-dihydrobenzimidazol-5-one?
The IUPAC name of 2-amino-3,7a-dihydrobenzimidazol-5-one (CID 23644106) is 2-amino-3,7a-dihydrobenzimidazol-5-one.
What is the SMILES notation for 2-amino-3,7a-dihydrobenzimidazol-5-one?
The canonical SMILES for 2-amino-3,7a-dihydrobenzimidazol-5-one is NC1=NC2C=CC(=O)C=C2N1.
What is the InChIKey of 2-amino-3,7a-dihydrobenzimidazol-5-one?
The InChIKey is YOPQVTNHTJDPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,5H,(H3,8,9,10).
What are the key properties of 2-amino-3,7a-dihydrobenzimidazol-5-one?
2-amino-3,7a-dihydrobenzimidazol-5-one has a molecular weight of 149.15 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7a-dihydrobenzimidazol-5-one is sourced from PubChem (CID 23644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).