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

C16H15F5N6O — CID 175485633

IUPAC(3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine
SMILESN[C@@H]1CN(c2nc3cc(F)ccc3n2Cc2nc(C(F)(F)F)no2)CCC1F
InChIInChI=1S/C16H15F5N6O/c17-8-1-2-12-11(5-8)23-15(26-4-3-9(18)10(22)6-26)27(12)7-13-24-14(25-28-13)16(19,20)21/h1-2,5,9-10H,3-4,6-7,22H2/t9?,10-/m1/s1
InChIKeyHXWHHQIWTXNQEB-QVDQXJPCSA-N
MW402.33 g/mol
LogP2.50
Rot. Bonds3

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

(3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine (PubChem CID 175485633) has the molecular formula C16H15F5N6O and a molecular weight of 402.33 g/mol. Its IUPAC name is (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine
PubChem CID175485633
Molecular FormulaC16H15F5N6O
Molecular Weight402.33 g/mol
Exact Mass402.12
IUPAC Name(3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine
SMILESN[C@@H]1CN(c2nc3cc(F)ccc3n2Cc2nc(C(F)(F)F)no2)CCC1F
InChIInChI=1S/C16H15F5N6O/c17-8-1-2-12-11(5-8)23-15(26-4-3-9(18)10(22)6-26)27(12)7-13-24-14(25-28-13)16(19,20)21/h1-2,5,9-10H,3-4,6-7,22H2/t9?,10-/m1/s1
InChIKeyHXWHHQIWTXNQEB-QVDQXJPCSA-N
XLogP2.50
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine?
The IUPAC name of (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine (CID 175485633) is (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine.
What is the SMILES notation for (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine?
The canonical SMILES for (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine is N[C@@H]1CN(c2nc3cc(F)ccc3n2Cc2nc(C(F)(F)F)no2)CCC1F.
What is the InChIKey of (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine?
The InChIKey is HXWHHQIWTXNQEB-QVDQXJPCSA-N. The full InChI is InChI=1S/C16H15F5N6O/c17-8-1-2-12-11(5-8)23-15(26-4-3-9(18)10(22)6-26)27(12)7-13-24-14(25-28-13)16(19,20)21/h1-2,5,9-10H,3-4,6-7,22H2/t9?,10-/m1/s1.
What are the key properties of (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine?
(3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine has a molecular weight of 402.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-fluoro-1-[5-fluoro-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]piperidin-3-amine is sourced from PubChem (CID 175485633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).