3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide

C13H18N4 — CID 54945365

IUPAC3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N4/c1-8-4-11-12(5-9(8)2)17(7-16-11)10(3)6-13(14)15/h4-5,7,10H,6H2,1-3H3,(H3,14,15)
InChIKeyHCFJYSHMOWXWEK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.54
Rot. Bonds3

About 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide

3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide (PubChem CID 54945365) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
PubChem CID54945365
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N4/c1-8-4-11-12(5-9(8)2)17(7-16-11)10(3)6-13(14)15/h4-5,7,10H,6H2,1-3H3,(H3,14,15)
InChIKeyHCFJYSHMOWXWEK-UHFFFAOYSA-N
XLogP2.54
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide 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-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxybutanimidamide
CID 54945692
5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide
CID 54966278
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-1-amine
CID 62446647
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
2-[(5,6-dimethylbenzimidazol-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370856
ethyl 2-(5,6-dimethylbenzimidazol-1-yl)butanoate
CID 64660849
4-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethylbutanimidamide
CID 65252771
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
CID 62562987
2-(5,6-dimethylbenzimidazol-1-yl)pentan-1-amine
CID 83044057
1-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-one
CID 4635768
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 62447771
3-imidazol-1-ylbutanimidamide
CID 60914699

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide?
The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide (CID 54945365) is 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide.
What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide?
The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide is [H]/N=C(\N)CC(C)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide?
The InChIKey is HCFJYSHMOWXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8-4-11-12(5-9(8)2)17(7-16-11)10(3)6-13(14)15/h4-5,7,10H,6H2,1-3H3,(H3,14,15).
What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide?
3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide has a molecular weight of 230.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylbenzimidazol-1-yl)butanimidamide is sourced from PubChem (CID 54945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).