3-amino-1H-benzimidazol-2-one

C7H7N3O — CID 819556

IUPAC3-amino-1H-benzimidazol-2-one
SMILESNn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C7H7N3O/c8-10-6-4-2-1-3-5(6)9-7(10)11/h1-4H,8H2,(H,9,11)
InChIKeyKOFUWGOMTZTSTO-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.04
Rot. Bonds

About 3-amino-1H-benzimidazol-2-one

3-amino-1H-benzimidazol-2-one (PubChem CID 819556) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-amino-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-amino-1H-benzimidazol-2-one
PubChem CID819556
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-amino-1H-benzimidazol-2-one
SMILESNn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C7H7N3O/c8-10-6-4-2-1-3-5(6)9-7(10)11/h1-4H,8H2,(H,9,11)
InChIKeyKOFUWGOMTZTSTO-UHFFFAOYSA-N
XLogP0.04
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy benzimidazole
CID 11985
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
5-Amino-2-hydroxybenzimidazole
CID 66765
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278
1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590540
5-Methyl-5-(3-methyl-3-butenyl)-2-phenyl-1,2,4-triazolan-3-one
CID 2731672
2-Phenyl-1,2,4-triazaspiro[4.5]decan-3-one
CID 1473313
1,3-Dihydro-1-hydroxy-2H-benzimidazol-2-one
CID 12205754
1,2,4-Triazolidine-3,5-dione, 1-phenyl-
CID 95671
6-fluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71454821
5-fluoro-3-hydroxy-1H-benzimidazol-2-one
CID 71462001
3-(2-aminophenyl)-1H-benzimidazol-2-one
CID 13925957

Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-benzimidazol-2-one?
The IUPAC name of 3-amino-1H-benzimidazol-2-one (CID 819556) is 3-amino-1H-benzimidazol-2-one.
What is the SMILES notation for 3-amino-1H-benzimidazol-2-one?
The canonical SMILES for 3-amino-1H-benzimidazol-2-one is Nn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-amino-1H-benzimidazol-2-one?
The InChIKey is KOFUWGOMTZTSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-10-6-4-2-1-3-5(6)9-7(10)11/h1-4H,8H2,(H,9,11).
What are the key properties of 3-amino-1H-benzimidazol-2-one?
3-amino-1H-benzimidazol-2-one has a molecular weight of 149.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-benzimidazol-2-one is sourced from PubChem (CID 819556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).