5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H19F3N4O2 — CID 71622802

IUPAC5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(C4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccnc2N1
InChIInChI=1S/C26H19F3N4O2/c27-26(28,29)13-2-5-18-19(10-13)32-25(31-18)23-17-9-12-1-3-14(11-16(12)22(17)23)35-20-7-8-30-24-15(20)4-6-21(34)33-24/h1-3,5,7-8,10-11,17,22-23H,4,6,9H2,(H,31,32)(H,30,33,34)
InChIKeyRBKYGVBCBBPYMX-UHFFFAOYSA-N
MW476.46 g/mol
LogP5.71
Rot. Bonds3

About 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71622802) has the molecular formula C26H19F3N4O2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71622802
Molecular FormulaC26H19F3N4O2
Molecular Weight476.46 g/mol
Exact Mass476.15
IUPAC Name5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C3C(C4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccnc2N1
InChIInChI=1S/C26H19F3N4O2/c27-26(28,29)13-2-5-18-19(10-13)32-25(31-18)23-17-9-12-1-3-14(11-16(12)22(17)23)35-20-7-8-30-24-15(20)4-6-21(34)33-24/h1-3,5,7-8,10-11,17,22-23H,4,6,9H2,(H,31,32)(H,30,33,34)
InChIKeyRBKYGVBCBBPYMX-UHFFFAOYSA-N
XLogP5.71
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one 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 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71622802) is 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C3C(C4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccnc2N1.
What is the InChIKey of 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is RBKYGVBCBBPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O2/c27-26(28,29)13-2-5-18-19(10-13)32-25(31-18)23-17-9-12-1-3-14(11-16(12)22(17)23)35-20-7-8-30-24-15(20)4-6-21(34)33-24/h1-3,5,7-8,10-11,17,22-23H,4,6,9H2,(H,31,32)(H,30,33,34).
What are the key properties of 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 476.46 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,1a,6,6a-tetrahydrocyclopropa[a]inden-3-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71622802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).