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

C10H12N4O2 — CID 116843911

IUPAC2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
SMILESCC(C(=O)NN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H12N4O2/c1-5(9(15)14-11)6-2-3-7-8(4-6)13-10(16)12-7/h2-5H,11H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyIHJGPQPXWMZWFZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.05
Rot. Bonds2

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

2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide (PubChem CID 116843911) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide.

Molecular Properties

Compound Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
PubChem CID116843911
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
SMILESCC(C(=O)NN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H12N4O2/c1-5(9(15)14-11)6-2-3-7-8(4-6)13-10(16)12-7/h2-5H,11H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyIHJGPQPXWMZWFZ-UHFFFAOYSA-N
XLogP-0.05
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

N-[(4-tert-butylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25222413
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116848655
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-(1-bromo-2-oxopropyl)-1,3-dihydrobenzimidazol-2-one
CID 116859823
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The IUPAC name of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide (CID 116843911) is 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide.
What is the SMILES notation for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The canonical SMILES for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide is CC(C(=O)NN)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The InChIKey is IHJGPQPXWMZWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5(9(15)14-11)6-2-3-7-8(4-6)13-10(16)12-7/h2-5H,11H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide has a molecular weight of 220.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide is sourced from PubChem (CID 116843911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).