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

C20H24N3O5P — CID 66846935

IUPAC4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
SMILESCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C20H21N3O.H3O4P/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);(H3,1,2,3,4)
InChIKeyFXLAJSCYLSNQOU-UHFFFAOYSA-N
MW417.40 g/mol
LogP2.12
Rot. Bonds6

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

4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid (PubChem CID 66846935) has the molecular formula C20H24N3O5P and a molecular weight of 417.40 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
PubChem CID66846935
Molecular FormulaC20H24N3O5P
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid
SMILESCc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.O=P(O)(O)O
InChIInChI=1S/C20H21N3O.H3O4P/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);(H3,1,2,3,4)
InChIKeyFXLAJSCYLSNQOU-UHFFFAOYSA-N
XLogP2.12
TPSA138.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid (CID 66846935) is 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid is Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1.O=P(O)(O)O.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid?
The InChIKey is FXLAJSCYLSNQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.H3O4P/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);(H3,1,2,3,4).
What are the key properties of 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid?
4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid has a molecular weight of 417.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-2,2-diphenylbutanamide;phosphoric acid is sourced from PubChem (CID 66846935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).