[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate

C13H12ClF3N2O2 — CID 154034477

IUPAC[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate
SMILESCCC(=O)On1c(CC)nc2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C13H12ClF3N2O2/c1-3-11-18-9-5-7(13(15,16)17)8(14)6-10(9)19(11)21-12(20)4-2/h5-6H,3-4H2,1-2H3
InChIKeyUAICVLJCCGNTND-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.64
Rot. Bonds3

About [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate

[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate (PubChem CID 154034477) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate.

Molecular Properties

Compound Name[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate
PubChem CID154034477
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate
SMILESCCC(=O)On1c(CC)nc2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C13H12ClF3N2O2/c1-3-11-18-9-5-7(13(15,16)17)8(14)6-10(9)19(11)21-12(20)4-2/h5-6H,3-4H2,1-2H3
InChIKeyUAICVLJCCGNTND-UHFFFAOYSA-N
XLogP3.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-1-ol
CID 21300435
(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine
CID 67099430
2-[3-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]ethyl-(2-chlorophenyl)sulfonylcarbamic acid
CID 68854531
N-[(2S)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-yl]-N-(4-methylphenyl)sulfonylcarbamate
CID 152750662
1-[(2S)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-yl]-3-(4-methylphenyl)sulfonylurea
CID 67099098
6-chloro-2-ethyl-1-[3-[2-[(4-methylphenoxy)carbonyl-sulfinatoamino]ethyl]-4-pyridinyl]-5-(trifluoromethyl)benzimidazole
CID 91333222
1-[6-chloro-1-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-2-ol
CID 141245169
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
CID 139336058
8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid
CID 23206427
1-[4-(6-chloro-2-ethyl-5-methylsulfonylbenzimidazol-1-yl)phenyl]ethyl propanoate
CID 141245167
ethyl 4,6-dichloro-7-(trifluoromethyl)quinoline-3-carboxylate
CID 66487307
ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 23206416

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate?
The IUPAC name of [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate (CID 154034477) is [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate.
What is the SMILES notation for [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate?
The canonical SMILES for [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate is CCC(=O)On1c(CC)nc2cc(C(F)(F)F)c(Cl)cc21.
What is the InChIKey of [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate?
The InChIKey is UAICVLJCCGNTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c1-3-11-18-9-5-7(13(15,16)17)8(14)6-10(9)19(11)21-12(20)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate?
[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate has a molecular weight of 320.70 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl] propanoate is sourced from PubChem (CID 154034477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).