3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide

C12H17N5O — CID 116849707

IUPAC3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
SMILESCNNC(=O)CC(N)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H17N5O/c1-7-15-10-4-3-8(5-11(10)16-7)9(13)6-12(18)17-14-2/h3-5,9,14H,6,13H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKDGBTKWVOWAVSG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.51
Rot. Bonds4

About 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide

3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide (PubChem CID 116849707) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide.

Molecular Properties

Compound Name3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
PubChem CID116849707
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
SMILESCNNC(=O)CC(N)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H17N5O/c1-7-15-10-4-3-8(5-11(10)16-7)9(13)6-12(18)17-14-2/h3-5,9,14H,6,13H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKDGBTKWVOWAVSG-UHFFFAOYSA-N
XLogP0.51
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804

Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide?
The IUPAC name of 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide (CID 116849707) is 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide.
What is the SMILES notation for 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide?
The canonical SMILES for 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide is CNNC(=O)CC(N)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide?
The InChIKey is KDGBTKWVOWAVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-15-10-4-3-8(5-11(10)16-7)9(13)6-12(18)17-14-2/h3-5,9,14H,6,13H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide?
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide has a molecular weight of 247.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide is sourced from PubChem (CID 116849707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).