5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H18ClF3N4O3 — CID 137384687

IUPAC5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1(c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)C2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@H]21
InChIInChI=1S/C26H18ClF3N4O3/c1-25(24-32-16-9-11(26(28,29)30)8-15(27)21(16)34-24)20-14-10-12(2-4-17(14)37-22(20)25)36-18-6-7-31-23-13(18)3-5-19(35)33-23/h2,4,6-10,20,22H,3,5H2,1H3,(H,32,34)(H,31,33,35)/t20-,22?,25?/m1/s1
InChIKeyJNJLOSHAHNRSEA-HUFXOUDFSA-N
MW526.90 g/mol
LogP6.12
Rot. Bonds3

About 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 137384687) has the molecular formula C26H18ClF3N4O3 and a molecular weight of 526.90 g/mol. Its IUPAC name is 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID137384687
Molecular FormulaC26H18ClF3N4O3
Molecular Weight526.90 g/mol
Exact Mass526.10
IUPAC Name5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC1(c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)C2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@H]21
InChIInChI=1S/C26H18ClF3N4O3/c1-25(24-32-16-9-11(26(28,29)30)8-15(27)21(16)34-24)20-14-10-12(2-4-17(14)37-22(20)25)36-18-6-7-31-23-13(18)3-5-19(35)33-23/h2,4,6-10,20,22H,3,5H2,1H3,(H,32,34)(H,31,33,35)/t20-,22?,25?/m1/s1
InChIKeyJNJLOSHAHNRSEA-HUFXOUDFSA-N
XLogP6.12
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.90
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

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5-[[(1S,1aR,6bS)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 89670173
5-[[1-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71598638
5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71620741
2-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3H-benzimidazole-5-carboxamide
CID 71621047
5-[[1-(4-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621049
5-[[1-(6-hydroxy-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621201
5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621203
5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621204
5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621371
5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621372
5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71622799

Frequently Asked Questions

What is the IUPAC name of 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 137384687) is 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC1(c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)C2Oc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3[C@H]21.
What is the InChIKey of 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is JNJLOSHAHNRSEA-HUFXOUDFSA-N. The full InChI is InChI=1S/C26H18ClF3N4O3/c1-25(24-32-16-9-11(26(28,29)30)8-15(27)21(16)34-24)20-14-10-12(2-4-17(14)37-22(20)25)36-18-6-7-31-23-13(18)3-5-19(35)33-23/h2,4,6-10,20,22H,3,5H2,1H3,(H,32,34)(H,31,33,35)/t20-,22?,25?/m1/s1.
What are the key properties of 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 526.90 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6bR)-1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-methyl-1a,6b-dihydrocyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137384687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).