3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C105H112F10N16O16 — CID 159410398

IUPAC3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1(CCO)CCCCC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@H]1CO)c1cccc(C(F)F)c1
InChIInChI=1S/C27H30F2N4O4.2C26H27F3N4O4.C26H28F2N4O4/c28-24(29)18-5-4-6-19(15-18)25(36)31-26-30-21-16-20(32-12-14-37-17-23(32)35)7-8-22(21)33(26)27(11-13-34)9-2-1-3-10-27;2*27-26(28,29)18-6-3-5-16(12-18)24(36)31-25-30-20-13-19(32-10-11-37-15-23(32)35)8-9-22(20)33(25)21-7-2-1-4-17(21)14-34;27-24(28)16-5-3-6-17(12-16)25(35)30-26-29-20-13-19(31-10-11-36-15-23(31)34)8-9-22(20)32(26)21-7-2-1-4-18(21)14-33/h4-8,15-16,24,34H,1-3,9-14,17H2,(H,30,31,36);2*3,5-6,8-9,12-13,17,21,34H,1-2,4,7,10-11,14-15H2,(H,30,31,36);3,5-6,8-9,12-13,18,21,24,33H,1-2,4,7,10-11,14-15H2,(H,29,30,35)/t;17-,21+;17-,21-;18-,21-/m.100/s1
InChIKeyLOMRLDVVRKPNCO-ZIAHDVAJSA-N
MW2044.13 g/mol
LogP17.73
Rot. Bonds23

About 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159410398) has the molecular formula C105H112F10N16O16 and a molecular weight of 2044.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID159410398
Molecular FormulaC105H112F10N16O16
Molecular Weight2044.13 g/mol
Exact Mass2042.83
IUPAC Name3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1(CCO)CCCCC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@H]1CO)c1cccc(C(F)F)c1
InChIInChI=1S/C27H30F2N4O4.2C26H27F3N4O4.C26H28F2N4O4/c28-24(29)18-5-4-6-19(15-18)25(36)31-26-30-21-16-20(32-12-14-37-17-23(32)35)7-8-22(21)33(26)27(11-13-34)9-2-1-3-10-27;2*27-26(28,29)18-6-3-5-16(12-18)24(36)31-25-30-20-13-19(32-10-11-37-15-23(32)35)8-9-22(20)33(25)21-7-2-1-4-17(21)14-34;27-24(28)16-5-3-6-17(12-16)25(35)30-26-29-20-13-19(31-10-11-36-15-23(31)34)8-9-22(20)32(26)21-7-2-1-4-18(21)14-33/h4-8,15-16,24,34H,1-3,9-14,17H2,(H,30,31,36);2*3,5-6,8-9,12-13,17,21,34H,1-2,4,7,10-11,14-15H2,(H,30,31,36);3,5-6,8-9,12-13,18,21,24,33H,1-2,4,7,10-11,14-15H2,(H,29,30,35)/t;17-,21+;17-,21-;18-,21-/m.100/s1
InChIKeyLOMRLDVVRKPNCO-ZIAHDVAJSA-N
XLogP17.73
TPSA386.76 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.13
LogP ≤ 517.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688277
N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688289
N-[1-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688298
3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688384
3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688398
N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688421
N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688422
3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688425
3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688444
N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688488
N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688509
N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688514

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159410398) is 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1(CCO)CCCCC1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@H]1CO)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is LOMRLDVVRKPNCO-ZIAHDVAJSA-N. The full InChI is InChI=1S/C27H30F2N4O4.2C26H27F3N4O4.C26H28F2N4O4/c28-24(29)18-5-4-6-19(15-18)25(36)31-26-30-21-16-20(32-12-14-37-17-23(32)35)7-8-22(21)33(26)27(11-13-34)9-2-1-3-10-27;2*27-26(28,29)18-6-3-5-16(12-18)24(36)31-25-30-20-13-19(32-10-11-37-15-23(32)35)8-9-22(20)33(25)21-7-2-1-4-17(21)14-34;27-24(28)16-5-3-6-17(12-16)25(35)30-26-29-20-13-19(31-10-11-36-15-23(31)34)8-9-22(20)32(26)21-7-2-1-4-18(21)14-33/h4-8,15-16,24,34H,1-3,9-14,17H2,(H,30,31,36);2*3,5-6,8-9,12-13,17,21,34H,1-2,4,7,10-11,14-15H2,(H,30,31,36);3,5-6,8-9,12-13,18,21,24,33H,1-2,4,7,10-11,14-15H2,(H,29,30,35)/t;17-,21+;17-,21-;18-,21-/m.100/s1.
What are the key properties of 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2044.13 g/mol, XLogP of 17.73, 23 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-[1-(2-hydroxyethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159410398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).