4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide

C21H23N3O — CID 15871722

IUPAC4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide
SMILESCCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-19-23-14-16-24(19)15-13-21(20(22)25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16H,2,13,15H2,1H3,(H2,22,25)
InChIKeyKJIUYOWIHUZEIV-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.31
Rot. Bonds7

About 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide

4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide (PubChem CID 15871722) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide
PubChem CID15871722
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide
SMILESCCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-19-23-14-16-24(19)15-13-21(20(22)25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16H,2,13,15H2,1H3,(H2,22,25)
InChIKeyKJIUYOWIHUZEIV-UHFFFAOYSA-N
XLogP3.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide (CID 15871722) is 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide is CCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide?
The InChIKey is KJIUYOWIHUZEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-19-23-14-16-24(19)15-13-21(20(22)25,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16H,2,13,15H2,1H3,(H2,22,25).
What are the key properties of 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide?
4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide has a molecular weight of 333.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-2,2-diphenylbutanamide is sourced from PubChem (CID 15871722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).