3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

C93H97F5N16O18S — CID 159708026

IUPAC3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccccc1
InChIInChI=1S/C25H25F3N4O4.C25H28N4O6S.C22H22F2N4O4.C21H22N4O4/c26-25(27,28)16-3-1-2-15(12-16)23(35)30-24-29-20-13-18(31-10-11-36-14-22(31)34)6-9-21(20)32(24)17-4-7-19(33)8-5-17;1-36(33,34)20-4-2-3-16(13-20)24(32)27-25-26-21-14-18(28-11-12-35-15-23(28)31)7-10-22(21)29(25)17-5-8-19(30)9-6-17;23-19(24)14-4-1-5-15(12-14)20(30)26-21-25-17-13-16(27-9-3-11-32-22(27)31)6-7-18(17)28(21)8-2-10-29;26-11-4-9-25-18-8-7-16(24-10-12-29-14-19(24)27)13-17(18)22-21(25)23-20(28)15-5-2-1-3-6-15/h1-3,6,9,12-13,17,19,33H,4-5,7-8,10-11,14H2,(H,29,30,35);2-4,7,10,13-14,17,19,30H,5-6,8-9,11-12,15H2,1H3,(H,26,27,32);1,4-7,12-13,19,29H,2-3,8-11H2,(H,25,26,30);1-3,5-8,13,26H,4,9-12,14H2,(H,22,23,28)
InChIKeyMYLXQWFTCQRKQP-UHFFFAOYSA-N
MW1853.95 g/mol
LogP12.67
Rot. Bonds22

About 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (PubChem CID 159708026) has the molecular formula C93H97F5N16O18S and a molecular weight of 1853.95 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
PubChem CID159708026
Molecular FormulaC93H97F5N16O18S
Molecular Weight1853.95 g/mol
Exact Mass1852.68
IUPAC Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccccc1
InChIInChI=1S/C25H25F3N4O4.C25H28N4O6S.C22H22F2N4O4.C21H22N4O4/c26-25(27,28)16-3-1-2-15(12-16)23(35)30-24-29-20-13-18(31-10-11-36-14-22(31)34)6-9-21(20)32(24)17-4-7-19(33)8-5-17;1-36(33,34)20-4-2-3-16(13-20)24(32)27-25-26-21-14-18(28-11-12-35-15-23(28)31)7-10-22(21)29(25)17-5-8-19(30)9-6-17;23-19(24)14-4-1-5-15(12-14)20(30)26-21-25-17-13-16(27-9-3-11-32-22(27)31)6-7-18(17)28(21)8-2-10-29;26-11-4-9-25-18-8-7-16(24-10-12-29-14-19(24)27)13-17(18)22-21(25)23-20(28)15-5-2-1-3-6-15/h1-3,6,9,12-13,17,19,33H,4-5,7-8,10-11,14H2,(H,29,30,35);2-4,7,10,13-14,17,19,30H,5-6,8-9,11-12,15H2,1H3,(H,26,27,32);1,4-7,12-13,19,29H,2-3,8-11H2,(H,25,26,30);1-3,5-8,13,26H,4,9-12,14H2,(H,22,23,28)
InChIKeyMYLXQWFTCQRKQP-UHFFFAOYSA-N
XLogP12.67
TPSA420.90 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001853.95
LogP ≤ 512.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide with MolForge

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Related Compounds

N-[1-cyclohexyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide
CID 126720068
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-(thian-4-yl)benzimidazol-2-yl]benzamide
CID 156570692
N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 156570667
N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688503
N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(6-cyclopropyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide
CID 160529784
3-(difluoromethyl)-N-[1-(1-formylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126720214
N-[6-cyano-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688485
N-[5-(2-oxo-1,3-oxazinan-3-yl)-1-(1-oxothiolan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126720219
N-[6-chloro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide
CID 126688582
N-[5-(6-cyclopropyl-2-oxo-1,3-oxazinan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 140899980
N-[6-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688291
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]benzamide
CID 126688276

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide (CID 159708026) is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccccc1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
The InChIKey is MYLXQWFTCQRKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C25H28N4O6S.C22H22F2N4O4.C21H22N4O4/c26-25(27,28)16-3-1-2-15(12-16)23(35)30-24-29-20-13-18(31-10-11-36-14-22(31)34)6-9-21(20)32(24)17-4-7-19(33)8-5-17;1-36(33,34)20-4-2-3-16(13-20)24(32)27-25-26-21-14-18(28-11-12-35-15-23(28)31)7-10-22(21)29(25)17-5-8-19(30)9-6-17;23-19(24)14-4-1-5-15(12-14)20(30)26-21-25-17-13-16(27-9-3-11-32-22(27)31)6-7-18(17)28(21)8-2-10-29;26-11-4-9-25-18-8-7-16(24-10-12-29-14-19(24)27)13-17(18)22-21(25)23-20(28)15-5-2-1-3-6-15/h1-3,6,9,12-13,17,19,33H,4-5,7-8,10-11,14H2,(H,29,30,35);2-4,7,10,13-14,17,19,30H,5-6,8-9,11-12,15H2,1H3,(H,26,27,32);1,4-7,12-13,19,29H,2-3,8-11H2,(H,25,26,30);1-3,5-8,13,26H,4,9-12,14H2,(H,22,23,28).
What are the key properties of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide?
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide has a molecular weight of 1853.95 g/mol, XLogP of 12.67, 22 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 159708026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).