6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C25H20Cl2FN5O2S — CID 10098903

IUPAC6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21
InChIInChI=1S/C25H20Cl2FN5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(28)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)27/h3-13H,1-2H3,(H2,29,30)(H,31,32)
InChIKeyUWFZITVNSLTPGK-UHFFFAOYSA-N
MW544.44 g/mol
LogP6.37
Rot. Bonds5

About 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 10098903) has the molecular formula C25H20Cl2FN5O2S and a molecular weight of 544.44 g/mol. Its IUPAC name is 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID10098903
Molecular FormulaC25H20Cl2FN5O2S
Molecular Weight544.44 g/mol
Exact Mass543.07
IUPAC Name6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21
InChIInChI=1S/C25H20Cl2FN5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(28)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)27/h3-13H,1-2H3,(H2,29,30)(H,31,32)
InChIKeyUWFZITVNSLTPGK-UHFFFAOYSA-N
XLogP6.37
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.44
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 10115148
6-[5-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10436869
6-[2-(4-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10458352
6-[2-tert-butyl-5-(2,4-difluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11157370
6-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 11203237
6-(5-Phenyl-2-piperidin-4-yl-3H-imidazol-4-yl)-1-(propane-2-sulfonyl)-1H-benzoimidazol-2-ylamine
CID 11225063
1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl)-1H-benzo[d]imidazol-2-amine
CID 11326501
6-[2-(1-Isobutyl-piperidin-4-yl)-5-phenyl-3H-imidazol-4-yl]-1-(propane-2-sulfonyl)-1H-benzoimidazol-2-ylamine
CID 11364404
6-[2-(2,6-dichlorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 11411010
1-Isopropylsulfonyl-2-amino-6-(2-(isopropyl)-5-(4-fluorophenyl)-imidazolyl)-benzimidazole methanesulfonate
CID 11753012
6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 17981596

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 10098903) is 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21.
What is the InChIKey of 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is UWFZITVNSLTPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(28)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)27/h3-13H,1-2H3,(H2,29,30)(H,31,32).
What are the key properties of 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 544.44 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 10098903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).