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

C24H19F3N6O — CID 166397945

IUPAC5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CCCc3nc(-c4ccncc4)nn3-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)17-5-1-2-6-20(17)33-21(31-22(32-33)16-10-12-28-13-11-16)7-3-4-15-8-9-18-19(14-15)30-23(34)29-18/h1-2,5-6,8-14H,3-4,7H2,(H2,29,30,34)
InChIKeyLNOSGTVFCHGTCN-UHFFFAOYSA-N
MW464.45 g/mol
LogP4.69
Rot. Bonds6

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

5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 166397945) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID166397945
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(CCCc3nc(-c4ccncc4)nn3-c3ccccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)17-5-1-2-6-20(17)33-21(31-22(32-33)16-10-12-28-13-11-16)7-3-4-15-8-9-18-19(14-15)30-23(34)29-18/h1-2,5-6,8-14H,3-4,7H2,(H2,29,30,34)
InChIKeyLNOSGTVFCHGTCN-UHFFFAOYSA-N
XLogP4.69
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 10917920
1-{4-[7-Amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-(3-trifluoromethylphenyl)urea
CID 44560803
1-[1-Methyl-5-[(imidazo[1,2-b]pyridazine-3-yl)ethynyl]-1H-pyrazole-3-yl]-3-[3-(trifluoromethyl)-4-[(4-methylpiperazino)methyl]phenyl]urea
CID 71605222
(3) 1H-1,2,4-triazol-3-yl-anilines
CID 57339835
(6) 1H-1,2,4-triazol-3-yl-anilines 4-F3C(C6H4) 4-Pyridine
CID 57339836
(24) 1H-1,2,4-triazol-3-yl-anilines 4-Me-3-F3C(C6H3) 4-Pyridine
CID 57339855
(25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H3) 4-Pyridine
CID 57339856
7-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-B]pyridazine
CID 74049854
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(2-methyl-2H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11092142
1-{4-[7-Amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-m-tolyl-urea
CID 24894620
Urea, N-[4-(3-amino-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]-
CID 11495270
1-(2-(1H-imidazol-1-yl)-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
CID 11635187

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one (CID 166397945) is 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(CCCc3nc(-c4ccncc4)nn3-c3ccccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LNOSGTVFCHGTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c25-24(26,27)17-5-1-2-6-20(17)33-21(31-22(32-33)16-10-12-28-13-11-16)7-3-4-15-8-9-18-19(14-15)30-23(34)29-18/h1-2,5-6,8-14H,3-4,7H2,(H2,29,30,34).
What are the key properties of 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one?
5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 464.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 166397945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).