3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide

C22H26N4O — CID 71459598

IUPAC3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C22H26N4O/c1-4-24-21(27)22(2,3)20(26-15-14-23-16-26)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-16,20,25H,4H2,1-3H3,(H,24,27)
InChIKeyYQROPEFKPYTAAN-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.38
Rot. Bonds7

About 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide

3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide (PubChem CID 71459598) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide
PubChem CID71459598
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C22H26N4O/c1-4-24-21(27)22(2,3)20(26-15-14-23-16-26)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-16,20,25H,4H2,1-3H3,(H,24,27)
InChIKeyYQROPEFKPYTAAN-UHFFFAOYSA-N
XLogP4.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide?
The IUPAC name of 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide (CID 71459598) is 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide?
The canonical SMILES for 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide is CCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1.
What is the InChIKey of 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide?
The InChIKey is YQROPEFKPYTAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-24-21(27)22(2,3)20(26-15-14-23-16-26)17-10-12-19(13-11-17)25-18-8-6-5-7-9-18/h5-16,20,25H,4H2,1-3H3,(H,24,27).
What are the key properties of 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide?
3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide has a molecular weight of 362.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-N-ethyl-3-imidazol-1-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 71459598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).