N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide

C37H32N4O2S — CID 70144596

IUPACN'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide
SMILESC/N=C(\C)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C37H32N4O2S/c1-27(38-2)40-44(42,43)34-21-13-12-20-33(34)29-24-22-28(23-25-29)26-41-36(31-16-8-4-9-17-31)35(30-14-6-3-7-15-30)39-37(41)32-18-10-5-11-19-32/h3-25H,26H2,1-2H3,(H,38,40)
InChIKeyBQEYHJBVBXJBNX-UHFFFAOYSA-N
MW596.76 g/mol
LogP7.93
Rot. Bonds8

About N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide

N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide (PubChem CID 70144596) has the molecular formula C37H32N4O2S and a molecular weight of 596.76 g/mol. Its IUPAC name is N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide
PubChem CID70144596
Molecular FormulaC37H32N4O2S
Molecular Weight596.76 g/mol
Exact Mass596.22
IUPAC NameN'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide
SMILESC/N=C(\C)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C37H32N4O2S/c1-27(38-2)40-44(42,43)34-21-13-12-20-33(34)29-24-22-28(23-25-29)26-41-36(31-16-8-4-9-17-31)35(30-14-6-3-7-15-30)39-37(41)32-18-10-5-11-19-32/h3-25H,26H2,1-2H3,(H,38,40)
InChIKeyBQEYHJBVBXJBNX-UHFFFAOYSA-N
XLogP7.93
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.76
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(dimethylamino)methyl]-2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]benzenesulfonamide
CID 70146598
1-benzyl-2-(4-iodophenyl)-4,5-diphenylimidazole
CID 139218774
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
CID 134953177
3-(1-benzyl-4,5-diphenylimidazol-2-yl)phenol
CID 11014921
3-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2-butylimidazole-4-carboxylic acid
CID 68718342
N,1-dibenzyl-4,5-diphenylimidazol-2-amine
CID 66561407
N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 86757706
[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamic acid
CID 151022583
N-[2-[4-[[5-(aminomethyl)-4-ethyl-2-propoxyimidazol-1-yl]methyl]phenyl]phenyl]sulfonylacetamide
CID 68720224
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide?
The IUPAC name of N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide (CID 70144596) is N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide.
What is the SMILES notation for N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide?
The canonical SMILES for N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide is C/N=C(\C)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide?
The InChIKey is BQEYHJBVBXJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4O2S/c1-27(38-2)40-44(42,43)34-21-13-12-20-33(34)29-24-22-28(23-25-29)26-41-36(31-16-8-4-9-17-31)35(30-14-6-3-7-15-30)39-37(41)32-18-10-5-11-19-32/h3-25H,26H2,1-2H3,(H,38,40).
What are the key properties of N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide?
N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide has a molecular weight of 596.76 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-[4-[(2,4,5-triphenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylethanimidamide is sourced from PubChem (CID 70144596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).