4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide

C15H20N4 — CID 59836613

IUPAC4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cn(C)c(C(C)(C)C)n2)cc1
InChIInChI=1S/C15H20N4/c1-15(2,3)14-18-12(9-19(14)4)10-5-7-11(8-6-10)13(16)17/h5-9H,1-4H3,(H3,16,17)
InChIKeyOBTNNKGTCJSYML-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.67
Rot. Bonds2

About 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide

4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide (PubChem CID 59836613) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
PubChem CID59836613
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cn(C)c(C(C)(C)C)n2)cc1
InChIInChI=1S/C15H20N4/c1-15(2,3)14-18-12(9-19(14)4)10-5-7-11(8-6-10)13(16)17/h5-9H,1-4H3,(H3,16,17)
InChIKeyOBTNNKGTCJSYML-UHFFFAOYSA-N
XLogP2.67
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.67
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide?
The IUPAC name of 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide (CID 59836613) is 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide?
The canonical SMILES for 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cn(C)c(C(C)(C)C)n2)cc1.
What is the InChIKey of 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide?
The InChIKey is OBTNNKGTCJSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,3)14-18-12(9-19(14)4)10-5-7-11(8-6-10)13(16)17/h5-9H,1-4H3,(H3,16,17).
What are the key properties of 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide?
4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide has a molecular weight of 256.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide is sourced from PubChem (CID 59836613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).