2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one

C26H20ClF4N5O — CID 24936281

IUPAC2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2cccc(Cl)c2)C(c2ccccn2)C12CCN(c1nc3cc(F)c(C(F)(F)F)cc3[nH]1)CC2
InChIInChI=1S/C26H20ClF4N5O/c27-15-4-3-5-16(12-15)36-22(19-6-1-2-9-32-19)25(23(36)37)7-10-35(11-8-25)24-33-20-13-17(26(29,30)31)18(28)14-21(20)34-24/h1-6,9,12-14,22H,7-8,10-11H2,(H,33,34)
InChIKeyBPPDNWBUKUHLNZ-UHFFFAOYSA-N
MW529.93 g/mol
LogP6.14
Rot. Bonds3

About 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one

2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 24936281) has the molecular formula C26H20ClF4N5O and a molecular weight of 529.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID24936281
Molecular FormulaC26H20ClF4N5O
Molecular Weight529.93 g/mol
Exact Mass529.13
IUPAC Name2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
SMILESO=C1N(c2cccc(Cl)c2)C(c2ccccn2)C12CCN(c1nc3cc(F)c(C(F)(F)F)cc3[nH]1)CC2
InChIInChI=1S/C26H20ClF4N5O/c27-15-4-3-5-16(12-15)36-22(19-6-1-2-9-32-19)25(23(36)37)7-10-35(11-8-25)24-33-20-13-17(26(29,30)31)18(28)14-21(20)34-24/h1-6,9,12-14,22H,7-8,10-11H2,(H,33,34)
InChIKeyBPPDNWBUKUHLNZ-UHFFFAOYSA-N
XLogP6.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.93
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one (CID 24936281) is 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one is O=C1N(c2cccc(Cl)c2)C(c2ccccn2)C12CCN(c1nc3cc(F)c(C(F)(F)F)cc3[nH]1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is BPPDNWBUKUHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF4N5O/c27-15-4-3-5-16(12-15)36-22(19-6-1-2-9-32-19)25(23(36)37)7-10-35(11-8-25)24-33-20-13-17(26(29,30)31)18(28)14-21(20)34-24/h1-6,9,12-14,22H,7-8,10-11H2,(H,33,34).
What are the key properties of 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?
2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 529.93 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-7-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 24936281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).