5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide

C32H29FN4O3 — CID 135154293

IUPAC5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C32H29FN4O3/c1-36(20-22-13-16-26(33)17-14-22)29(38)27-19-23(15-18-28(27)40-2)21-37-30(39)32(35-31(37)34,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-19H,20-21H2,1-2H3,(H2,34,35)
InChIKeyGIIKGFJQYJVTLK-UHFFFAOYSA-N
MW536.61 g/mol
LogP4.71
Rot. Bonds8

About 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide

5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide (PubChem CID 135154293) has the molecular formula C32H29FN4O3 and a molecular weight of 536.61 g/mol. Its IUPAC name is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide
PubChem CID135154293
Molecular FormulaC32H29FN4O3
Molecular Weight536.61 g/mol
Exact Mass536.22
IUPAC Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C32H29FN4O3/c1-36(20-22-13-16-26(33)17-14-22)29(38)27-19-23(15-18-28(27)40-2)21-37-30(39)32(35-31(37)34,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-19H,20-21H2,1-2H3,(H2,34,35)
InChIKeyGIIKGFJQYJVTLK-UHFFFAOYSA-N
XLogP4.71
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide (CID 135154293) is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide is COc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide?
The InChIKey is GIIKGFJQYJVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O3/c1-36(20-22-13-16-26(33)17-14-22)29(38)27-19-23(15-18-28(27)40-2)21-37-30(39)32(35-31(37)34,24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-19H,20-21H2,1-2H3,(H2,34,35).
What are the key properties of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide?
5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide has a molecular weight of 536.61 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 135154293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).