2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide

C10H13N5O2 — CID 116848655

IUPAC2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
SMILESNNC(=O)C(N)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N5O2/c11-6(9(16)15-12)3-5-1-2-7-8(4-5)14-10(17)13-7/h1-2,4,6H,3,11-12H2,(H,15,16)(H2,13,14,17)
InChIKeyHYIKJURBZHXEHY-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.28
Rot. Bonds3

About 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide

2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide (PubChem CID 116848655) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide.

Molecular Properties

Compound Name2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
PubChem CID116848655
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
SMILESNNC(=O)C(N)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N5O2/c11-6(9(16)15-12)3-5-1-2-7-8(4-5)14-10(17)13-7/h1-2,4,6H,3,11-12H2,(H,15,16)(H2,13,14,17)
InChIKeyHYIKJURBZHXEHY-UHFFFAOYSA-N
XLogP-1.28
TPSA129.79 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116849123
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116843911
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate
CID 175154839
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The IUPAC name of 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide (CID 116848655) is 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide.
What is the SMILES notation for 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The canonical SMILES for 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide is NNC(=O)C(N)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The InChIKey is HYIKJURBZHXEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-6(9(16)15-12)3-5-1-2-7-8(4-5)14-10(17)13-7/h1-2,4,6H,3,11-12H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide has a molecular weight of 235.25 g/mol, XLogP of -1.28, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide is sourced from PubChem (CID 116848655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).