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

C26H21F4N5O2S — CID 10347330

IUPAC6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4C(F)(F)F)[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C26H21F4N5O2S/c1-14(2)38(36,37)35-20-13-16(11-12-19(20)32-25(35)31)23-22(15-7-4-3-5-8-15)33-24(34-23)21-17(26(28,29)30)9-6-10-18(21)27/h3-14H,1-2H3,(H2,31,32)(H,33,34)
InChIKeyCLIPXZFCHRNHQE-UHFFFAOYSA-N
MW543.55 g/mol
LogP6.09
Rot. Bonds5

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

6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 10347330) has the molecular formula C26H21F4N5O2S and a molecular weight of 543.55 g/mol. Its IUPAC name is 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID10347330
Molecular FormulaC26H21F4N5O2S
Molecular Weight543.55 g/mol
Exact Mass543.14
IUPAC Name6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4C(F)(F)F)[nH]c3-c3ccccc3)cc21
InChIInChI=1S/C26H21F4N5O2S/c1-14(2)38(36,37)35-20-13-16(11-12-19(20)32-25(35)31)23-22(15-7-4-3-5-8-15)33-24(34-23)21-17(26(28,29)30)9-6-10-18(21)27/h3-14H,1-2H3,(H2,31,32)(H,33,34)
InChIKeyCLIPXZFCHRNHQE-UHFFFAOYSA-N
XLogP6.09
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.55
LogP ≤ 56.09
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

Enviroxime
CID 5748733
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
Zinviroxime
CID 5361910
Enviradene
CID 6435398
3-[5-(2-Fluoro-6-trifluoromethylphenyl)-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene
CID 135883308
1-isopropylsulfonyl-6-[(E)-1-phenylbut-1-en-3-ynyl]benzimidazol-2-amine
CID 6479373
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole
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
N-{(1s)-2-{4-[(5r)-1,1-Dioxido-3-Oxoisothiazolidin-5-Yl]phenyl}-1-[5-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]ethyl}-2,2,2-Trifluoroacetamide
CID 9549200
4-(6-{[2-(4-Aminophenyl)benzimidazol-6-yl]methyl}benzimidazol-2-yl)phenylamine
CID 1160282
2-[(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-5,6-dimethyl-1H-benzimidazole
CID 6303338

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 10347330) is 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3nc(-c4c(F)cccc4C(F)(F)F)[nH]c3-c3ccccc3)cc21.
What is the InChIKey of 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is CLIPXZFCHRNHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N5O2S/c1-14(2)38(36,37)35-20-13-16(11-12-19(20)32-25(35)31)23-22(15-7-4-3-5-8-15)33-24(34-23)21-17(26(28,29)30)9-6-10-18(21)27/h3-14H,1-2H3,(H2,31,32)(H,33,34).
What are the key properties of 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 543.55 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 10347330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).