4-(2-tert-butyl-1H-imidazol-5-yl)benzamide

C14H17N3O — CID 59836529

IUPAC4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
SMILESCC(C)(C)c1ncc(-c2ccc(C(N)=O)cc2)[nH]1
InChIInChI=1S/C14H17N3O/c1-14(2,3)13-16-8-11(17-13)9-4-6-10(7-5-9)12(15)18/h4-8H,1-3H3,(H2,15,18)(H,16,17)
InChIKeyJFGLGVQQEDSYLT-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds2

About 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide

4-(2-tert-butyl-1H-imidazol-5-yl)benzamide (PubChem CID 59836529) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
PubChem CID59836529
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(2-tert-butyl-1H-imidazol-5-yl)benzamide
SMILESCC(C)(C)c1ncc(-c2ccc(C(N)=O)cc2)[nH]1
InChIInChI=1S/C14H17N3O/c1-14(2,3)13-16-8-11(17-13)9-4-6-10(7-5-9)12(15)18/h4-8H,1-3H3,(H2,15,18)(H,16,17)
InChIKeyJFGLGVQQEDSYLT-UHFFFAOYSA-N
XLogP2.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide 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 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide?
The IUPAC name of 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide (CID 59836529) is 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide.
What is the SMILES notation for 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide?
The canonical SMILES for 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide is CC(C)(C)c1ncc(-c2ccc(C(N)=O)cc2)[nH]1.
What is the InChIKey of 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide?
The InChIKey is JFGLGVQQEDSYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)13-16-8-11(17-13)9-4-6-10(7-5-9)12(15)18/h4-8H,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide?
4-(2-tert-butyl-1H-imidazol-5-yl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-1H-imidazol-5-yl)benzamide is sourced from PubChem (CID 59836529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).