5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide

C29H25FN4O2S — CID 135154469

IUPAC5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1csc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C29H25FN4O2S/c1-33(17-20-12-14-24(30)15-13-20)26(35)21-16-25(37-19-21)18-34-27(36)29(32-28(34)31,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,19H,17-18H2,1H3,(H2,31,32)
InChIKeyCJHGXOVAWMMQFU-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.76
Rot. Bonds7

About 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide

5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 135154469) has the molecular formula C29H25FN4O2S and a molecular weight of 512.61 g/mol. Its IUPAC name is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID135154469
Molecular FormulaC29H25FN4O2S
Molecular Weight512.61 g/mol
Exact Mass512.17
IUPAC Name5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1csc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1
InChIInChI=1S/C29H25FN4O2S/c1-33(17-20-12-14-24(30)15-13-20)26(35)21-16-25(37-19-21)18-34-27(36)29(32-28(34)31,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,19H,17-18H2,1H3,(H2,31,32)
InChIKeyCJHGXOVAWMMQFU-UHFFFAOYSA-N
XLogP4.76
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.76
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]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide (CID 135154469) is 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1csc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.
What is the InChIKey of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is CJHGXOVAWMMQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2S/c1-33(17-20-12-14-24(30)15-13-20)26(35)21-16-25(37-19-21)18-34-27(36)29(32-28(34)31,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-16,19H,17-18H2,1H3,(H2,31,32).
What are the key properties of 5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide?
5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 4.76, 7 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]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 135154469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).