5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

C15H10ClF3N2O2 — CID 19771067

IUPAC5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOc1ccccc1-n1c(=O)[nH]c2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C15H10ClF3N2O2/c1-23-13-5-3-2-4-11(13)21-12-7-9(16)8(15(17,18)19)6-10(12)20-14(21)22/h2-7H,1H3,(H,20,22)
InChIKeyALTJOHSVHOBQTJ-UHFFFAOYSA-N
MW342.70 g/mol
LogP4.00
Rot. Bonds2

About 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 19771067) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID19771067
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOc1ccccc1-n1c(=O)[nH]c2cc(C(F)(F)F)c(Cl)cc21
InChIInChI=1S/C15H10ClF3N2O2/c1-23-13-5-3-2-4-11(13)21-12-7-9(16)8(15(17,18)19)6-10(12)20-14(21)22/h2-7H,1H3,(H,20,22)
InChIKeyALTJOHSVHOBQTJ-UHFFFAOYSA-N
XLogP4.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 19771067) is 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is COc1ccccc1-n1c(=O)[nH]c2cc(C(F)(F)F)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is ALTJOHSVHOBQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c1-23-13-5-3-2-4-11(13)21-12-7-9(16)8(15(17,18)19)6-10(12)20-14(21)22/h2-7H,1H3,(H,20,22).
What are the key properties of 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 342.70 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 19771067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).