2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide

C13H24N4 — CID 139093630

IUPAC2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide
SMILESCc1nc(C)n(/C(=N\C(C)C)NC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-8(2)14-13(15-9(3)4)17-11(6)10(5)16-12(17)7/h8-9H,1-7H3,(H,14,15)
InChIKeyXIOAWYYBEPGRFZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds2

About 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide

2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide (PubChem CID 139093630) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide
PubChem CID139093630
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide
SMILESCc1nc(C)n(/C(=N\C(C)C)NC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-8(2)14-13(15-9(3)4)17-11(6)10(5)16-12(17)7/h8-9H,1-7H3,(H,14,15)
InChIKeyXIOAWYYBEPGRFZ-UHFFFAOYSA-N
XLogP2.42
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The IUPAC name of 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide (CID 139093630) is 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide.
What is the SMILES notation for 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The canonical SMILES for 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide is Cc1nc(C)n(/C(=N\C(C)C)NC(C)C)c1C.
What is the InChIKey of 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
The InChIKey is XIOAWYYBEPGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-8(2)14-13(15-9(3)4)17-11(6)10(5)16-12(17)7/h8-9H,1-7H3,(H,14,15).
What are the key properties of 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide?
2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide has a molecular weight of 236.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N,N'-di(propan-2-yl)imidazole-1-carboximidamide is sourced from PubChem (CID 139093630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).