2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C103H66Cl5F11N32O5 — CID 167670081

About 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167670081) has the molecular formula C103H66Cl5F11N32O5 and a molecular weight of 2218.12 g/mol. Its IUPAC name is 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

• Compound Name: 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
• PubChem CID: 167670081
• Molecular Formula: C103H66Cl5F11N32O5
• Molecular Weight: 2218.12 g/mol
• Exact Mass: 2214.42
• IUPAC Name: 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
• SMILES: Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1F.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1Cl.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1F.Nc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12
• InChI: InChI=1S/C28H17ClF4N8O2.C25H16Cl2F2N8O.C25H16ClF3N8O.C25H17ClF2N8O/c29-13-2-4-18(40-10-21(37-39-40)28(31,32)33)15(8-13)12-5-19-16-9-17(16)24(41(19)22(42)7-12)27-35-23(25(30)36-27)11-1-3-14-20(6-11)43-38-26(14)34;2*1-10-2-4-12(20(28)19(10)27)21-23(29)33-24(32-21)22-13-7-14(13)25-31-16(8-18(38)37(22)25)15-6-11(26)3-5-17(15)36-9-30-34-35-36;1-11-2-4-13(22(28)21(11)27)18-9-29-24(31-18)23-14-7-15(14)25-32-17(8-20(37)36(23)25)16-6-12(26)3-5-19(16)35-10-30-33-34-35/h1-8,10,16-17,24H,9H2,(H2,34,38)(H,35,36);2*2-6,8-9,13-14,22H,7H2,1H3,(H,32,33);2-6,8-10,14-15,23H,7H2,1H3,(H,29,31)
• InChIKey: TYYKQEFFLMXWOC-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 454.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2218.12
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

The IUPAC name of 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167670081) is 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

What is the SMILES notation for 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

The canonical SMILES for 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is Cc1ccc(-c2cnc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]2)c(F)c1F.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1Cl.Cc1ccc(-c2nc(C3C4CC4c4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2F)c(F)c1F.Nc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.

What is the InChIKey of 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

The InChIKey is TYYKQEFFLMXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClF4N8O2.C25H16Cl2F2N8O.C25H16ClF3N8O.C25H17ClF2N8O/c29-13-2-4-18(40-10-21(37-39-40)28(31,32)33)15(8-13)12-5-19-16-9-17(16)24(41(19)22(42)7-12)27-35-23(25(30)36-27)11-1-3-14-20(6-11)43-38-26(14)34;2*1-10-2-4-12(20(28)19(10)27)21-23(29)33-24(32-21)22-13-7-14(13)25-31-16(8-18(38)37(22)25)15-6-11(26)3-5-17(15)36-9-30-34-35-36;1-11-2-4-13(22(28)21(11)27)18-9-29-24(31-18)23-14-7-15(14)25-32-17(8-20(37)36(23)25)16-6-12(26)3-5-19(16)35-10-30-33-34-35/h1-8,10,16-17,24H,9H2,(H2,34,38)(H,35,36);2*2-6,8-9,13-14,22H,7H2,1H3,(H,32,33);2-6,8-10,14-15,23H,7H2,1H3,(H,29,31).

What are the key properties of 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?

2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 2218.12 g/mol, XLogP of 19.19, 16 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;5-[4-(3-chloro-2-fluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(tetrazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-(2,3-difluoro-4-methylphenyl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-(2,3-difluoro-4-methylphenyl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167670081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).