N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

C29H30F3N3O2 — CID 59046945

IUPACN-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3c(C)cc(C)cc3C)C(C)C)nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C29H30F3N3O2/c1-17(2)34(28(36)27-19(4)13-18(3)14-20(27)5)16-26-33-24-15-21(29(30,31)32)7-12-25(24)35(26)22-8-10-23(37-6)11-9-22/h7-15,17H,16H2,1-6H3
InChIKeyHHBHTISBOJZXDB-UHFFFAOYSA-N
MW509.57 g/mol
LogP7.03
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide

N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (PubChem CID 59046945) has the molecular formula C29H30F3N3O2 and a molecular weight of 509.57 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
PubChem CID59046945
Molecular FormulaC29H30F3N3O2
Molecular Weight509.57 g/mol
Exact Mass509.23
IUPAC NameN-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
SMILESCOc1ccc(-n2c(CN(C(=O)c3c(C)cc(C)cc3C)C(C)C)nc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C29H30F3N3O2/c1-17(2)34(28(36)27-19(4)13-18(3)14-20(27)5)16-26-33-24-15-21(29(30,31)32)7-12-25(24)35(26)22-8-10-23(37-6)11-9-22/h7-15,17H,16H2,1-6H3
InChIKeyHHBHTISBOJZXDB-UHFFFAOYSA-N
XLogP7.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[1-(4-methoxyphenyl)-5-methylbenzimidazol-2-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
CID 18511858
N-[[1-(4-methoxyphenyl)indol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 15546075
2-aminopropan-1-ol;2-chloroacetyl chloride;2-(chloromethyl)-1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazole;1-fluoro-2-nitro-4-(trifluoromethyl)benzene;N-(1-hydroxypropan-2-yl)-N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethylbenzamide;4-methoxyaniline;N-(4-methoxyphenyl)-2-nitro-4-(trifluoromethyl)aniline;1-N-(4-methoxyphenyl)-4-(trifluoromethyl)benzene-1,2-diamine;2,4,6-trimethylbenzoyl chloride
CID 158681789
N-[[1-(4-fluoro-2-methylphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511843
N-[[1-(2-chlorophenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide
CID 18511814
N-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propylbenzamide
CID 70012357
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
CID 58517030
2,4,6-trimethyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 70013857
4-methoxy-N-[[5-propan-2-ylsulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]benzamide
CID 3398347
N-[[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 44911898

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide (CID 59046945) is N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is COc1ccc(-n2c(CN(C(=O)c3c(C)cc(C)cc3C)C(C)C)nc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
The InChIKey is HHBHTISBOJZXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O2/c1-17(2)34(28(36)27-19(4)13-18(3)14-20(27)5)16-26-33-24-15-21(29(30,31)32)7-12-25(24)35(26)22-8-10-23(37-6)11-9-22/h7-15,17H,16H2,1-6H3.
What are the key properties of N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide?
N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide has a molecular weight of 509.57 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2,4,6-trimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 59046945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).