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

C21H24N4O — CID 71457689

IUPAC3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C21H24N4O/c1-21(2,20(26)22-3)19(25-14-13-23-15-25)16-9-11-18(12-10-16)24-17-7-5-4-6-8-17/h4-15,19,24H,1-3H3,(H,22,26)
InChIKeyXXWMAMCGORMRNI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.99
Rot. Bonds6

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

3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide (PubChem CID 71457689) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide
PubChem CID71457689
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1
InChIInChI=1S/C21H24N4O/c1-21(2,20(26)22-3)19(25-14-13-23-15-25)16-9-11-18(12-10-16)24-17-7-5-4-6-8-17/h4-15,19,24H,1-3H3,(H,22,26)
InChIKeyXXWMAMCGORMRNI-UHFFFAOYSA-N
XLogP3.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide (CID 71457689) is 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1.
What is the InChIKey of 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide?
The InChIKey is XXWMAMCGORMRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,20(26)22-3)19(25-14-13-23-15-25)16-9-11-18(12-10-16)24-17-7-5-4-6-8-17/h4-15,19,24H,1-3H3,(H,22,26).
What are the key properties of 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide?
3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide is sourced from PubChem (CID 71457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).