N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C89H73F21N16O12 — CID 160762767

IUPACN-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESC#CCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.CC(C)(F)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22F4N4O3.C22H16F8N4O3.C22H18F6N4O3.C22H17F3N4O3/c1-22(2,24)13-31-18-8-7-16(30-9-4-10-34-21(30)33)12-17(18)28-20(31)29-19(32)14-5-3-6-15(11-14)23(25,26)27;23-20(24,22(28,29)30)11-34-16-6-5-14(33-7-2-8-37-19(33)36)10-15(16)31-18(34)32-17(35)12-3-1-4-13(9-12)21(25,26)27;23-21(24,25)7-9-32-17-6-5-15(31-8-2-10-35-20(31)34)12-16(17)29-19(32)30-18(33)13-3-1-4-14(11-13)22(26,27)28;1-2-9-29-18-8-7-16(28-10-4-11-32-21(28)31)13-17(18)26-20(29)27-19(30)14-5-3-6-15(12-14)22(23,24)25/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,28,29,32);1,3-6,9-10H,2,7-8,11H2,(H,31,32,35);1,3-6,11-12H,2,7-10H2,(H,29,30,33);1,3,5-8,12-13H,4,9-11H2,(H,26,27,30)
InChIKeyRYGZWZGPSCPHGJ-UHFFFAOYSA-N
MW1957.62 g/mol
LogP21.15
Rot. Bonds19

About N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 160762767) has the molecular formula C89H73F21N16O12 and a molecular weight of 1957.62 g/mol. Its IUPAC name is N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID160762767
Molecular FormulaC89H73F21N16O12
Molecular Weight1957.62 g/mol
Exact Mass1956.53
IUPAC NameN-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESC#CCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.CC(C)(F)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCC(F)(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H22F4N4O3.C22H16F8N4O3.C22H18F6N4O3.C22H17F3N4O3/c1-22(2,24)13-31-18-8-7-16(30-9-4-10-34-21(30)33)12-17(18)28-20(31)29-19(32)14-5-3-6-15(11-14)23(25,26)27;23-20(24,22(28,29)30)11-34-16-6-5-14(33-7-2-8-37-19(33)36)10-15(16)31-18(34)32-17(35)12-3-1-4-13(9-12)21(25,26)27;23-21(24,25)7-9-32-17-6-5-15(31-8-2-10-35-20(31)34)12-16(17)29-19(32)30-18(33)13-3-1-4-14(11-13)22(26,27)28;1-2-9-29-18-8-7-16(28-10-4-11-32-21(28)31)13-17(18)26-20(29)27-19(30)14-5-3-6-15(12-14)22(23,24)25/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,28,29,32);1,3-6,9-10H,2,7-8,11H2,(H,31,32,35);1,3-6,11-12H,2,7-10H2,(H,29,30,33);1,3,5-8,12-13H,4,9-11H2,(H,26,27,30)
InChIKeyRYGZWZGPSCPHGJ-UHFFFAOYSA-N
XLogP21.15
TPSA305.84 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001957.62
LogP ≤ 521.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4-methyl-3-[[1-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87392851
N-[4-methyl-3-[[1-[6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87392852
CID 87761878
CID 87761878
N-[4-methyl-3-[[1-(6-morpholin-4-ylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87761922
N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-methyl-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118396001
CID 118396002
CID 118396002
N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688246
N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688287
N-[1-(cyclohexylmethyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688305
N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688308
N-[1-(2,2-difluoropropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688353
N-[1-(2,2-dimethylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688374

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 160762767) is N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is C#CCn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.CC(C)(F)Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC(F)(F)C(F)(F)F)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCC(F)(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is RYGZWZGPSCPHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O3.C22H16F8N4O3.C22H18F6N4O3.C22H17F3N4O3/c1-22(2,24)13-31-18-8-7-16(30-9-4-10-34-21(30)33)12-17(18)28-20(31)29-19(32)14-5-3-6-15(11-14)23(25,26)27;23-20(24,22(28,29)30)11-34-16-6-5-14(33-7-2-8-37-19(33)36)10-15(16)31-18(34)32-17(35)12-3-1-4-13(9-12)21(25,26)27;23-21(24,25)7-9-32-17-6-5-15(31-8-2-10-35-20(31)34)12-16(17)29-19(32)30-18(33)13-3-1-4-14(11-13)22(26,27)28;1-2-9-29-18-8-7-16(28-10-4-11-32-21(28)31)13-17(18)26-20(29)27-19(30)14-5-3-6-15(12-14)22(23,24)25/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,28,29,32);1,3-6,9-10H,2,7-8,11H2,(H,31,32,35);1,3-6,11-12H,2,7-10H2,(H,29,30,33);1,3,5-8,12-13H,4,9-11H2,(H,26,27,30).
What are the key properties of N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1957.62 g/mol, XLogP of 21.15, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(2,2,3,3,3-pentafluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-prop-2-ynylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160762767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).