N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide

C32H35F3N4O3 — CID 130203417

IUPACN-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide
SMILESCc1cccc(NC(=O)COc2ccc3c(c2)nc(Nc2ccc(OC(F)(F)F)cc2)n3C2CC(C)CC(C)(C)C2)c1
InChIInChI=1S/C32H35F3N4O3/c1-20-6-5-7-23(14-20)36-29(40)19-41-26-12-13-28-27(16-26)38-30(39(28)24-15-21(2)17-31(3,4)18-24)37-22-8-10-25(11-9-22)42-32(33,34)35/h5-14,16,21,24H,15,17-19H2,1-4H3,(H,36,40)(H,37,38)
InChIKeyKPJXRSATMSPSCK-UHFFFAOYSA-N
MW580.65 g/mol
LogP8.39
Rot. Bonds8

About N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide

N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide (PubChem CID 130203417) has the molecular formula C32H35F3N4O3 and a molecular weight of 580.65 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide
PubChem CID130203417
Molecular FormulaC32H35F3N4O3
Molecular Weight580.65 g/mol
Exact Mass580.27
IUPAC NameN-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide
SMILESCc1cccc(NC(=O)COc2ccc3c(c2)nc(Nc2ccc(OC(F)(F)F)cc2)n3C2CC(C)CC(C)(C)C2)c1
InChIInChI=1S/C32H35F3N4O3/c1-20-6-5-7-23(14-20)36-29(40)19-41-26-12-13-28-27(16-26)38-30(39(28)24-15-21(2)17-31(3,4)18-24)37-22-8-10-25(11-9-22)42-32(33,34)35/h5-14,16,21,24H,15,17-19H2,1-4H3,(H,36,40)(H,37,38)
InChIKeyKPJXRSATMSPSCK-UHFFFAOYSA-N
XLogP8.39
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.65
LogP ≤ 58.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide
CID 118310665
methyl 2-[[2-[2-[4-(trifluoromethoxy)anilino]-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetyl]amino]acetate
CID 118310284
N,N-dimethyl-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide
CID 118310768
N-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]acetamide
CID 118318469
2-[1-(3,3-dimethylcyclohexyl)-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 123809386
N-[2-chloro-5-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide
CID 130203447
2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxy-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 118310419
N-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 118311129
[4-[[1-(3,3-dimethylcyclohexyl)-5-[2-(3-methylanilino)-2-oxoethoxy]benzimidazol-2-yl]amino]phenyl] hypofluorite
CID 139419753
2-[4-(trifluoromethoxy)anilino]-1-[(5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid
CID 137446873
2-[4-(trifluoromethoxy)anilino]-1-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxylic acid
CID 118318553
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetamide
CID 118310511

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide (CID 130203417) is N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide is Cc1cccc(NC(=O)COc2ccc3c(c2)nc(Nc2ccc(OC(F)(F)F)cc2)n3C2CC(C)CC(C)(C)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide?
The InChIKey is KPJXRSATMSPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N4O3/c1-20-6-5-7-23(14-20)36-29(40)19-41-26-12-13-28-27(16-26)38-30(39(28)24-15-21(2)17-31(3,4)18-24)37-22-8-10-25(11-9-22)42-32(33,34)35/h5-14,16,21,24H,15,17-19H2,1-4H3,(H,36,40)(H,37,38).
What are the key properties of N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide?
N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide has a molecular weight of 580.65 g/mol, XLogP of 8.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetamide is sourced from PubChem (CID 130203417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).