4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C17H12F3N5O — CID 1149503

IUPAC4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24)
InChIKeyJDOHQJAEXBDMOS-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.74
Rot. Bonds3

About 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 1149503) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID1149503
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24)
InChIKeyJDOHQJAEXBDMOS-UHFFFAOYSA-N
XLogP3.74
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
4-[1-(Cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 607858
4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 599038
4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-ylamine
CID 753058
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-nitrobenzimidazole
CID 492670
4-(3-Methylphenyl)-1,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 5061586
4-(1-(Phenylmethyl)-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 561320
4-[1-(4-Methyl-benzyl)-1H-benzoimidazol-2-yl]-furazan-3-ylamine
CID 571349
2-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 628691
4-(1-isopropyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 684961
1H-Benzimidazole, 1-methyl-2-(4-nitrophenyl)-
CID 774862

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 1149503) is 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is JDOHQJAEXBDMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24).
What are the key properties of 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 359.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 1149503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).