N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide

C16H10F3N3O4 — CID 162594452

IUPACN-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H10F3N3O4/c17-16(18,19)26-9-3-1-2-8(4-9)14(23)22-15-20-10-5-12-13(25-7-24-12)6-11(10)21-15/h1-6H,7H2,(H2,20,21,22,23)
InChIKeyJQFOJKWFUITGLJ-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.44
Rot. Bonds3

About N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide

N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 162594452) has the molecular formula C16H10F3N3O4 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
PubChem CID162594452
Molecular FormulaC16H10F3N3O4
Molecular Weight365.27 g/mol
Exact Mass365.06
IUPAC NameN-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H10F3N3O4/c17-16(18,19)26-9-3-1-2-8(4-9)14(23)22-15-20-10-5-12-13(25-7-24-12)6-11(10)21-15/h1-6H,7H2,(H2,20,21,22,23)
InChIKeyJQFOJKWFUITGLJ-UHFFFAOYSA-N
XLogP3.44
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzimidazole-urea, 47
CID 17755232
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)benzamide
CID 2583265
N-(1H-benzimidazol-2-yl)-3-methoxybenzamide
CID 853103
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090030
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 4236237
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide
CID 72720599
methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate
CID 72720814
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide
CID 72720816
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
CID 72721720
N-(2,2-Difluoro-5H-1,3-dioxolo[4,5-f]benzoimidazole-6-yl)-3-methoxybenzamide
CID 72721921
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 118117059
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide
CID 118117109

Frequently Asked Questions

What is the IUPAC name of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide (CID 162594452) is N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide is O=C(Nc1nc2cc3c(cc2[nH]1)OCO3)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide?
The InChIKey is JQFOJKWFUITGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O4/c17-16(18,19)26-9-3-1-2-8(4-9)14(23)22-15-20-10-5-12-13(25-7-24-12)6-11(10)21-15/h1-6H,7H2,(H2,20,21,22,23).
What are the key properties of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide?
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 365.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162594452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).