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

C15H16F3N3O — CID 59836659

IUPAC4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCC(C)(C)c1nc(-c2ccc(C(N)=O)cc2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C15H16F3N3O/c1-14(2,3)13-20-10(11(21-13)15(16,17)18)8-4-6-9(7-5-8)12(19)22/h4-7H,1-3H3,(H2,19,22)(H,20,21)
InChIKeyWOTJWDCHHFMPHA-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.49
Rot. Bonds2

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

4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (PubChem CID 59836659) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
PubChem CID59836659
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
SMILESCC(C)(C)c1nc(-c2ccc(C(N)=O)cc2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C15H16F3N3O/c1-14(2,3)13-20-10(11(21-13)15(16,17)18)8-4-6-9(7-5-8)12(19)22/h4-7H,1-3H3,(H2,19,22)(H,20,21)
InChIKeyWOTJWDCHHFMPHA-UHFFFAOYSA-N
XLogP3.49
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The IUPAC name of 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide (CID 59836659) is 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide.
What is the SMILES notation for 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The canonical SMILES for 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is CC(C)(C)c1nc(-c2ccc(C(N)=O)cc2)c(C(F)(F)F)[nH]1.
What is the InChIKey of 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
The InChIKey is WOTJWDCHHFMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-14(2,3)13-20-10(11(21-13)15(16,17)18)8-4-6-9(7-5-8)12(19)22/h4-7H,1-3H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide?
4-[2-tert-butyl-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide has a molecular weight of 311.31 g/mol, XLogP of 3.49, 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-5-(trifluoromethyl)-1H-imidazol-4-yl]benzamide is sourced from PubChem (CID 59836659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).