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

C25H21F2N5O2S — CID 9827020

IUPAC6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N
InChIInChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
InChIKeyNQPPPAJKEZYMMP-UHFFFAOYSA-N
MW493.50 g/mol
LogP5.40
Rot. Bonds5

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

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 9827020) has the molecular formula C25H21F2N5O2S and a molecular weight of 493.50 g/mol. Its IUPAC name is 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID9827020
Molecular FormulaC25H21F2N5O2S
Molecular Weight493.50 g/mol
Exact Mass493.14
IUPAC Name6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N
InChIInChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31)
InChIKeyNQPPPAJKEZYMMP-UHFFFAOYSA-N
XLogP5.40
TPSA115.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity826

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.50
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
Enviroxime
CID 5748733
Hemi-Babim
CID 1282
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
Zinviroxime
CID 5361910
Enviradene
CID 6435398
2-((6-fluoro-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
CID 11638121
1-isopropylsulfonyl-6-[(E)-1-phenylbut-1-en-3-ynyl]benzimidazol-2-amine
CID 6479373
2,2'-dimethyl-3H,3'H-5,5'-bibenzimidazole
CID 831344
4-[6-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 1365597
5,5',6,6'-Tetramethyl-2,2'-bibenzimidazole
CID 294857

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 9827020) is 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C3=C(NC(=N3)C4=C(C=CC=C4F)F)C5=CC=CC=C5)N=C1N.
What is the InChIKey of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is NQPPPAJKEZYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31).
What are the key properties of 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 493.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 9827020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).