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

C11H15N5O2 — CID 116849123

IUPAC2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
SMILESCN(N)C(=O)C(N)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N5O2/c1-16(13)10(17)7(12)4-6-2-3-8-9(5-6)15-11(18)14-8/h2-3,5,7H,4,12-13H2,1H3,(H2,14,15,18)
InChIKeyIELOEYNVVUVILU-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.94
Rot. Bonds3

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

2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide (PubChem CID 116849123) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide.

Molecular Properties

Compound Name2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
PubChem CID116849123
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
SMILESCN(N)C(=O)C(N)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H15N5O2/c1-16(13)10(17)7(12)4-6-2-3-8-9(5-6)15-11(18)14-8/h2-3,5,7H,4,12-13H2,1H3,(H2,14,15,18)
InChIKeyIELOEYNVVUVILU-UHFFFAOYSA-N
XLogP-0.94
TPSA121.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
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-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116848655
2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
CID 116849043
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116849075
[3,3-dimethyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butan-2-yl] carbamate
CID 175154839
2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
CID 116849128
5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115199666
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 115162212
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
5-[1-(dimethylamino)-3-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 116910558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The IUPAC name of 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide (CID 116849123) is 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide.
What is the SMILES notation for 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The canonical SMILES for 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide is CN(N)C(=O)C(N)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
The InChIKey is IELOEYNVVUVILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16(13)10(17)7(12)4-6-2-3-8-9(5-6)15-11(18)14-8/h2-3,5,7H,4,12-13H2,1H3,(H2,14,15,18).
What are the key properties of 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide?
2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide has a molecular weight of 249.27 g/mol, XLogP of -0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide is sourced from PubChem (CID 116849123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).