N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide

C15H19N3O — CID 139230310

IUPACN-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)[nH]1
InChIInChI=1S/C15H19N3O/c1-10(19)16-14-17-12(11-8-6-5-7-9-11)13(18-14)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyVILCQXVGIHQRBB-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.33
Rot. Bonds2

About N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide

N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide (PubChem CID 139230310) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide
PubChem CID139230310
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)[nH]1
InChIInChI=1S/C15H19N3O/c1-10(19)16-14-17-12(11-8-6-5-7-9-11)13(18-14)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyVILCQXVGIHQRBB-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide (CID 139230310) is N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)[nH]1.
What is the InChIKey of N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide?
The InChIKey is VILCQXVGIHQRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(19)16-14-17-12(11-8-6-5-7-9-11)13(18-14)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18,19).
What are the key properties of N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide?
N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-phenyl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 139230310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).