4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid

C20H23N3O5S — CID 74221742

IUPAC4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid
SMILESCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C20H21N3O.H2O4S/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-5(2,3)4/h2-11,13,15H,12,14H2,1H3,(H2,21,24);(H2,1,2,3,4)
InChIKeyGRURFYWMRAYICX-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.40
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid

4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid (PubChem CID 74221742) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid
PubChem CID74221742
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid
SMILESCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C20H21N3O.H2O4S/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-5(2,3)4/h2-11,13,15H,12,14H2,1H3,(H2,21,24);(H2,1,2,3,4)
InChIKeyGRURFYWMRAYICX-UHFFFAOYSA-N
XLogP2.40
TPSA135.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;hydrobromide
CID 74221652
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
CID 66846935
1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824
4-(2-methylimidazol-1-yl)butane-1-sulfonic acid
CID 71342023
4-[2-methyl-3-[(E)-3-phenylprop-2-enyl]imidazol-3-ium-1-yl]-2,2-diphenylbutanamide
CID 46931640
3-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493428
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
2,2-diphenylhexanamide;hydrochloride
CID 142429226
3-[N-[2-(2-methylimidazol-1-yl)ethyl]anilino]propanethioamide
CID 61493793
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]propanoic acid
CID 61493387
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208
4-(2-methylimidazol-1-yl)butan-2-one
CID 43121484

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid (CID 74221742) is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid is Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.O=S(=O)(O)O.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid?
The InChIKey is GRURFYWMRAYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.H2O4S/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-5(2,3)4/h2-11,13,15H,12,14H2,1H3,(H2,21,24);(H2,1,2,3,4).
What are the key properties of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid?
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid has a molecular weight of 417.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;sulfuric acid is sourced from PubChem (CID 74221742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).