[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone

C21H9Cl2F5N2O — CID 155598939

IUPAC[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)n1c(-c2cccc(C(F)(F)F)c2Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C21H9Cl2F5N2O/c22-11-5-7-17-16(9-11)29-19(12-2-1-3-13(18(12)23)21(26,27)28)30(17)20(31)10-4-6-14(24)15(25)8-10/h1-9H
InChIKeyQNRBJTBECFRZNC-UHFFFAOYSA-N
MW471.21 g/mol
LogP7.00
Rot. Bonds2

About [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone

[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 155598939) has the molecular formula C21H9Cl2F5N2O and a molecular weight of 471.21 g/mol. Its IUPAC name is [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID155598939
Molecular FormulaC21H9Cl2F5N2O
Molecular Weight471.21 g/mol
Exact Mass470.00
IUPAC Name[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)n1c(-c2cccc(C(F)(F)F)c2Cl)nc2cc(Cl)ccc21
InChIInChI=1S/C21H9Cl2F5N2O/c22-11-5-7-17-16(9-11)29-19(12-2-1-3-13(18(12)23)21(26,27)28)30(17)20(31)10-4-6-14(24)15(25)8-10/h1-9H
InChIKeyQNRBJTBECFRZNC-UHFFFAOYSA-N
XLogP7.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.21
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone (CID 155598939) is [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)n1c(-c2cccc(C(F)(F)F)c2Cl)nc2cc(Cl)ccc21.
What is the InChIKey of [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is QNRBJTBECFRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9Cl2F5N2O/c22-11-5-7-17-16(9-11)29-19(12-2-1-3-13(18(12)23)21(26,27)28)30(17)20(31)10-4-6-14(24)15(25)8-10/h1-9H.
What are the key properties of [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone?
[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 471.21 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 155598939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).