1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine

C25H27F6N3O2 — CID 118318609

IUPAC1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
SMILESCC1(C)CC(n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(OC(F)(F)F)ccc32)CC(C)(C)C1
InChIInChI=1S/C25H27F6N3O2/c1-22(2)12-16(13-23(3,4)14-22)34-20-10-9-18(36-25(29,30)31)11-19(20)33-21(34)32-15-5-7-17(8-6-15)35-24(26,27)28/h5-11,16H,12-14H2,1-4H3,(H,32,33)
InChIKeyHYIGERFYPJAVMA-UHFFFAOYSA-N
MW515.50 g/mol
LogP8.35
Rot. Bonds5

About 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine

1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine (PubChem CID 118318609) has the molecular formula C25H27F6N3O2 and a molecular weight of 515.50 g/mol. Its IUPAC name is 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
PubChem CID118318609
Molecular FormulaC25H27F6N3O2
Molecular Weight515.50 g/mol
Exact Mass515.20
IUPAC Name1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
SMILESCC1(C)CC(n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(OC(F)(F)F)ccc32)CC(C)(C)C1
InChIInChI=1S/C25H27F6N3O2/c1-22(2)12-16(13-23(3,4)14-22)34-20-10-9-18(36-25(29,30)31)11-19(20)33-21(34)32-15-5-7-17(8-6-15)35-24(26,27)28/h5-11,16H,12-14H2,1-4H3,(H,32,33)
InChIKeyHYIGERFYPJAVMA-UHFFFAOYSA-N
XLogP8.35
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.50
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine with MolForge

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Related Compounds

Bay1436032
CID 118310260
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CID 3074967
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
Benzimidazole-urea, 46
CID 10141033
Benzimidazole-urea, 38
CID 10186182
Benzimidazole-urea, 39
CID 10186183
2-amino-5-(4-((2-fluoro-5-(trifluoromethyl)phenyl)aminocarbonylamino)phenoxy)-1H-benzimidazole
CID 10275349
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-{4-[(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1H-1,3-benzodiazol-6-yl)oxy]phenyl}urea
CID 17755233
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CID 17755861
1-(7-fluoro-6-methoxy-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)piperidin-3-amine
CID 23646515

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
The IUPAC name of 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine (CID 118318609) is 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
The canonical SMILES for 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine is CC1(C)CC(n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(OC(F)(F)F)ccc32)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
The InChIKey is HYIGERFYPJAVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F6N3O2/c1-22(2)12-16(13-23(3,4)14-22)34-20-10-9-18(36-25(29,30)31)11-19(20)33-21(34)32-15-5-7-17(8-6-15)35-24(26,27)28/h5-11,16H,12-14H2,1-4H3,(H,32,33).
What are the key properties of 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine?
1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine has a molecular weight of 515.50 g/mol, XLogP of 8.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetramethylcyclohexyl)-5-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 118318609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).