4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide

C13H18N4O — CID 116847733

IUPAC4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
SMILESCN(C)NC(=O)CCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-17(2)16-13(18)5-3-4-10-6-7-11-12(8-10)15-9-14-11/h6-9H,3-5H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyQZIRRLPHGBZJOB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds5

About 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide

4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide (PubChem CID 116847733) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
PubChem CID116847733
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
SMILESCN(C)NC(=O)CCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-17(2)16-13(18)5-3-4-10-6-7-11-12(8-10)15-9-14-11/h6-9H,3-5H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyQZIRRLPHGBZJOB-UHFFFAOYSA-N
XLogP1.48
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
CID 115155498
6-pentyl-1H-benzimidazole
CID 58767911
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847682

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide (CID 116847733) is 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide is CN(C)NC(=O)CCCc1ccc2nc[nH]c2c1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide?
The InChIKey is QZIRRLPHGBZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(2)16-13(18)5-3-4-10-6-7-11-12(8-10)15-9-14-11/h6-9H,3-5H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide?
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide is sourced from PubChem (CID 116847733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).