ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate

C17H11F5N2O2 — CID 168908312

IUPACethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1c(F)ccc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H11F5N2O2/c1-2-26-16(25)13-11(19)3-4-12-14(13)24-15(23-12)8-5-9(17(20,21)22)7-10(18)6-8/h3-7H,2H2,1H3,(H,23,24)
InChIKeyBFFMQANBRMEPAH-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.70
Rot. Bonds3

About ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate

ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate (PubChem CID 168908312) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
PubChem CID168908312
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Nameethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
SMILESCCOC(=O)c1c(F)ccc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H11F5N2O2/c1-2-26-16(25)13-11(19)3-4-12-14(13)24-15(23-12)8-5-9(17(20,21)22)7-10(18)6-8/h3-7H,2H2,1H3,(H,23,24)
InChIKeyBFFMQANBRMEPAH-UHFFFAOYSA-N
XLogP4.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate?
The IUPAC name of ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate (CID 168908312) is ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate is CCOC(=O)c1c(F)ccc2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)nc12.
What is the InChIKey of ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate?
The InChIKey is BFFMQANBRMEPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c1-2-26-16(25)13-11(19)3-4-12-14(13)24-15(23-12)8-5-9(17(20,21)22)7-10(18)6-8/h3-7H,2H2,1H3,(H,23,24).
What are the key properties of ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate?
ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate has a molecular weight of 370.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 168908312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).