4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile

C24H20N4O2S — CID 10410324

IUPAC4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2CNc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N4O2S/c25-14-19-6-8-20(9-7-19)17-28-18-26-15-22(28)16-27-21-10-12-24(13-11-21)31(29,30)23-4-2-1-3-5-23/h1-13,15,18,27H,16-17H2
InChIKeyZDHCZPBJZQRBMP-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.25
Rot. Bonds7

About 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile

4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 10410324) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID10410324
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2CNc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H20N4O2S/c25-14-19-6-8-20(9-7-19)17-28-18-26-15-22(28)16-27-21-10-12-24(13-11-21)31(29,30)23-4-2-1-3-5-23/h1-13,15,18,27H,16-17H2
InChIKeyZDHCZPBJZQRBMP-UHFFFAOYSA-N
XLogP4.25
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4-ylmethyl)amino]ethyl}benzenesulfonamide
CID 11329222
N-[2-(2-fluorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1H-imidazol-4-ylmethyl)benzenesulfonamide
CID 483308
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-methyl]-2-methyl-imidazol-1-ylmethyl}-benzonitrile
CID 10344044
4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 44340338
4-Benzenesulfonyl-3-benzyl-1-(3H-imidazol-4-ylmethyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-7-carbonitrile
CID 10050983
{3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-phenyl}-methyl-amine
CID 10620694
N-benzyl-N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)thiophene-2-sulfonamide
CID 16086171
4-(5-{[Butyl-(4-phenylsulfanyl-phenyl)-amino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 19707478
2-[4-(Benzylsulphonyl)anilino]-4-(1-isopropyl-2-methylimidazol-5-yl)pyrimidine
CID 44589042
N-benzyl-N-[2-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]propane-1-sulfonamide
CID 49781661
1-[4-(Benzenesulfonyl)phenyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 66614212

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile (CID 10410324) is 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2cncc2CNc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is ZDHCZPBJZQRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c25-14-19-6-8-20(9-7-19)17-28-18-26-15-22(28)16-27-21-10-12-24(13-11-21)31(29,30)23-4-2-1-3-5-23/h1-13,15,18,27H,16-17H2.
What are the key properties of 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile?
4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 428.52 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[4-(benzenesulfonyl)anilino]methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 10410324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).