5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

C17H10F3N3OS — CID 71885397

IUPAC5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2[nH]1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)11-3-1-2-10(6-11)15-21-14(8-25-15)9-4-5-12-13(7-9)23-16(24)22-12/h1-8H,(H2,22,23,24)
InChIKeyQHMOBRGLTTXMNW-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.67
Rot. Bonds2

About 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 71885397) has the molecular formula C17H10F3N3OS and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID71885397
Molecular FormulaC17H10F3N3OS
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC Name5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2[nH]1
InChIInChI=1S/C17H10F3N3OS/c18-17(19,20)11-3-1-2-10(6-11)15-21-14(8-25-15)9-4-5-12-13(7-9)23-16(24)22-12/h1-8H,(H2,22,23,24)
InChIKeyQHMOBRGLTTXMNW-UHFFFAOYSA-N
XLogP4.67
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 71885397) is 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)cc2[nH]1.
What is the InChIKey of 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QHMOBRGLTTXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS/c18-17(19,20)11-3-1-2-10(6-11)15-21-14(8-25-15)9-4-5-12-13(7-9)23-16(24)22-12/h1-8H,(H2,22,23,24).
What are the key properties of 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 361.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71885397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).