4-(1-methylbenzimidazol-5-yl)butanehydrazide

C12H16N4O — CID 116843638

IUPAC4-(1-methylbenzimidazol-5-yl)butanehydrazide
SMILESCn1cnc2cc(CCCC(=O)NN)ccc21
InChIInChI=1S/C12H16N4O/c1-16-8-14-10-7-9(5-6-11(10)16)3-2-4-12(17)15-13/h5-8H,2-4,13H2,1H3,(H,15,17)
InChIKeyAOIWNQVQWLSPEL-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.89
Rot. Bonds4

About 4-(1-methylbenzimidazol-5-yl)butanehydrazide

4-(1-methylbenzimidazol-5-yl)butanehydrazide (PubChem CID 116843638) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-5-yl)butanehydrazide.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-5-yl)butanehydrazide
PubChem CID116843638
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(1-methylbenzimidazol-5-yl)butanehydrazide
SMILESCn1cnc2cc(CCCC(=O)NN)ccc21
InChIInChI=1S/C12H16N4O/c1-16-8-14-10-7-9(5-6-11(10)16)3-2-4-12(17)15-13/h5-8H,2-4,13H2,1H3,(H,15,17)
InChIKeyAOIWNQVQWLSPEL-UHFFFAOYSA-N
XLogP0.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
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'}

Analyze 4-(1-methylbenzimidazol-5-yl)butanehydrazide 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

3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
3-amino-1-methyl-1-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 115192819
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115153099
(E)-4-[2-(1-methylbenzimidazol-5-yl)ethylamino]but-2-enoic acid
CID 115237307
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-5-yl)butanehydrazide?
The IUPAC name of 4-(1-methylbenzimidazol-5-yl)butanehydrazide (CID 116843638) is 4-(1-methylbenzimidazol-5-yl)butanehydrazide.
What is the SMILES notation for 4-(1-methylbenzimidazol-5-yl)butanehydrazide?
The canonical SMILES for 4-(1-methylbenzimidazol-5-yl)butanehydrazide is Cn1cnc2cc(CCCC(=O)NN)ccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-5-yl)butanehydrazide?
The InChIKey is AOIWNQVQWLSPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-8-14-10-7-9(5-6-11(10)16)3-2-4-12(17)15-13/h5-8H,2-4,13H2,1H3,(H,15,17).
What are the key properties of 4-(1-methylbenzimidazol-5-yl)butanehydrazide?
4-(1-methylbenzimidazol-5-yl)butanehydrazide has a molecular weight of 232.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-5-yl)butanehydrazide is sourced from PubChem (CID 116843638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).