2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide

C27H25F3N4O3 — CID 159629636

IUPAC2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide
SMILESNC(=O)CCC(CCc1nc2ccccc2n1-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C27H25F3N4O3/c28-27(29,30)18-7-11-20(12-8-18)37-21-13-9-19(10-14-21)34-23-4-2-1-3-22(23)33-25(34)16-6-17(26(32)36)5-15-24(31)35/h1-4,7-14,17H,5-6,15-16H2,(H2,31,35)(H2,32,36)
InChIKeyRSDAIOINCBZFRY-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.14
Rot. Bonds10

About 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide

2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide (PubChem CID 159629636) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide.

Molecular Properties

Compound Name2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide
PubChem CID159629636
Molecular FormulaC27H25F3N4O3
Molecular Weight510.52 g/mol
Exact Mass510.19
IUPAC Name2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide
SMILESNC(=O)CCC(CCc1nc2ccccc2n1-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C27H25F3N4O3/c28-27(29,30)18-7-11-20(12-8-18)37-21-13-9-19(10-14-21)34-23-4-2-1-3-22(23)33-25(34)16-6-17(26(32)36)5-15-24(31)35/h1-4,7-14,17H,5-6,15-16H2,(H2,31,35)(H2,32,36)
InChIKeyRSDAIOINCBZFRY-UHFFFAOYSA-N
XLogP5.14
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-[[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 118061159
2-(1-phenylbenzimidazol-2-yl)acetic acid
CID 61271443
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
2-[4-[1-[4-(4-fluorophenoxy)phenyl]benzimidazol-2-yl]piperidin-1-yl]acetamide
CID 118061663
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
3-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689209
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1-phenylbenzimidazol-2-yl)propan-1-one;hydrochloride
CID 119630899
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
N-hydroxy-2-(1-phenylbenzimidazol-2-yl)acetamide
CID 3049623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide?
The IUPAC name of 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide (CID 159629636) is 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide.
What is the SMILES notation for 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide?
The canonical SMILES for 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide is NC(=O)CCC(CCc1nc2ccccc2n1-c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(N)=O.
What is the InChIKey of 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide?
The InChIKey is RSDAIOINCBZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c28-27(29,30)18-7-11-20(12-8-18)37-21-13-9-19(10-14-21)34-23-4-2-1-3-22(23)33-25(34)16-6-17(26(32)36)5-15-24(31)35/h1-4,7-14,17H,5-6,15-16H2,(H2,31,35)(H2,32,36).
What are the key properties of 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide?
2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide has a molecular weight of 510.52 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]benzimidazol-2-yl]ethyl]pentanediamide is sourced from PubChem (CID 159629636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).