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

C25H20ClF2N5O2S — CID 11756689

IUPAC6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21
InChIInChI=1S/C25H20ClF2N5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(27)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)28/h3-13H,1-2H3,(H2,29,30)(H,31,32)
InChIKeyGQXAZCRVPDRJGX-UHFFFAOYSA-N
MW527.98 g/mol
LogP5.86
Rot. Bonds5

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

6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 11756689) has the molecular formula C25H20ClF2N5O2S and a molecular weight of 527.98 g/mol. Its IUPAC name is 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID11756689
Molecular FormulaC25H20ClF2N5O2S
Molecular Weight527.98 g/mol
Exact Mass527.10
IUPAC Name6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21
InChIInChI=1S/C25H20ClF2N5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(27)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)28/h3-13H,1-2H3,(H2,29,30)(H,31,32)
InChIKeyGQXAZCRVPDRJGX-UHFFFAOYSA-N
XLogP5.86
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10347330
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616844
6-[5-phenyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10051670
2-amino-6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N,N-dimethylbenzimidazole-1-sulfonamide;methanesulfonic acid
CID 11377433
5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
CID 87616211
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(4-fluorophenyl)methanone
CID 10522586
(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-(3-fluorophenyl)methanone
CID 515243
5-[2-(2-chloro-6-fluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 11705579
(Z)-4-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(4-fluorophenyl)but-3-en-2-one
CID 70272387
4-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(3-fluorophenyl)but-3-en-2-one
CID 54099417
6-[3-cyclopropyl-2-ethynyl-5-(2-fluorophenyl)imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 87735507
5-[2-(2,6-dichlorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-2-methylimidazo[4,5-b]pyridine;methanesulfonic acid
CID 87615869

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 11756689) is 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4Cl)[nH]c3-c3ccc(F)cc3)cc21.
What is the InChIKey of 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is GQXAZCRVPDRJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N5O2S/c1-13(2)36(34,35)33-20-12-15(8-11-19(20)30-25(33)29)23-22(14-6-9-16(27)10-7-14)31-24(32-23)21-17(26)4-3-5-18(21)28/h3-13H,1-2H3,(H2,29,30)(H,31,32).
What are the key properties of 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 527.98 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-6-fluorophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 11756689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).