6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one

C15H10ClF3N2O2 — CID 122656509

IUPAC6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C15H10ClF3N2O2/c1-7-5-8(6-10-13(7)21-14(22)20-10)12-9(16)3-2-4-11(12)23-15(17,18)19/h2-6H,1H3,(H2,20,21,22)
InChIKeyPNXQSEMPMRJYEX-UHFFFAOYSA-N
MW342.70 g/mol
LogP4.38
Rot. Bonds2

About 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one

6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656509) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID122656509
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C15H10ClF3N2O2/c1-7-5-8(6-10-13(7)21-14(22)20-10)12-9(16)3-2-4-11(12)23-15(17,18)19/h2-6H,1H3,(H2,20,21,22)
InChIKeyPNXQSEMPMRJYEX-UHFFFAOYSA-N
XLogP4.38
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one (CID 122656509) is 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc(-c2c(Cl)cccc2OC(F)(F)F)cc2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PNXQSEMPMRJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c1-7-5-8(6-10-13(7)21-14(22)20-10)12-9(16)3-2-4-11(12)23-15(17,18)19/h2-6H,1H3,(H2,20,21,22).
What are the key properties of 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one?
6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 342.70 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-(trifluoromethoxy)phenyl]-4-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).