N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide

C18H20N4O3S — CID 82253063

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3=NCCN3)c2)cc1
InChIInChI=1S/C18H20N4O3S/c1-22(2)26(24,25)16-8-6-13(7-9-16)18(23)21-15-5-3-4-14(12-15)17-19-10-11-20-17/h3-9,12H,10-11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyBZVQOTNNNBUUDX-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.54
Rot. Bonds5

About N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 82253063) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID82253063
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3=NCCN3)c2)cc1
InChIInChI=1S/C18H20N4O3S/c1-22(2)26(24,25)16-8-6-13(7-9-16)18(23)21-15-5-3-4-14(12-15)17-19-10-11-20-17/h3-9,12H,10-11H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyBZVQOTNNNBUUDX-UHFFFAOYSA-N
XLogP1.54
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 82252612
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
1-N,4-N-bis[3-(4,5-dihydro-1H-imidazol-2-yl)-5-(dimethylcarbamoyl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 54606215
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide (CID 82253063) is N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C3=NCCN3)c2)cc1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BZVQOTNNNBUUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-22(2)26(24,25)16-8-6-13(7-9-16)18(23)21-15-5-3-4-14(12-15)17-19-10-11-20-17/h3-9,12H,10-11H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide?
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 82253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).