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

C104H110F10N16O16 — CID 159310308

IUPAC3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCCC(CO)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCCC(CO)C1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@@H]1CO)c1cccc(C(F)F)c1
InChIInChI=1S/2C26H27F3N4O4.2C26H28F2N4O4/c27-26(28,29)18-5-2-4-17(12-18)24(36)31-25-30-21-13-19(32-9-10-37-15-23(32)35)7-8-22(21)33(25)20-6-1-3-16(11-20)14-34;27-26(28,29)18-3-1-2-17(12-18)24(36)31-25-30-21-13-20(32-10-11-37-15-23(32)35)8-9-22(21)33(25)19-6-4-16(14-34)5-7-19;27-24(28)17-4-2-5-18(12-17)25(35)30-26-29-21-13-19(31-9-10-36-15-23(31)34)7-8-22(21)32(26)20-6-1-3-16(11-20)14-33;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/h2,4-5,7-8,12-13,16,20,34H,1,3,6,9-11,14-15H2,(H,30,31,36);1-3,8-9,12-13,16,19,34H,4-7,10-11,14-15H2,(H,30,31,36);2,4-5,7-8,12-13,16,20,24,33H,1,3,6,9-11,14-15H2,(H,29,30,35);3,5-6,8-9,12-13,18,21,24,33H,1-2,4,7,10-11,14-15H2,(H,29,30,35)/t;;;18-,21+/m...1/s1
InChIKeyLCLIZYVCYRKCHK-VPXSVHQGSA-N
MW2030.10 g/mol
LogP17.41
Rot. Bonds22

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

3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159310308) has the molecular formula C104H110F10N16O16 and a molecular weight of 2030.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID159310308
Molecular FormulaC104H110F10N16O16
Molecular Weight2030.10 g/mol
Exact Mass2028.81
IUPAC Name3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCCC(CO)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCCC(CO)C1)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@H]1CCCC[C@@H]1CO)c1cccc(C(F)F)c1
InChIInChI=1S/2C26H27F3N4O4.2C26H28F2N4O4/c27-26(28,29)18-5-2-4-17(12-18)24(36)31-25-30-21-13-19(32-9-10-37-15-23(32)35)7-8-22(21)33(25)20-6-1-3-16(11-20)14-34;27-26(28,29)18-3-1-2-17(12-18)24(36)31-25-30-21-13-20(32-10-11-37-15-23(32)35)8-9-22(21)33(25)19-6-4-16(14-34)5-7-19;27-24(28)17-4-2-5-18(12-17)25(35)30-26-29-21-13-19(31-9-10-36-15-23(31)34)7-8-22(21)32(26)20-6-1-3-16(11-20)14-33;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/h2,4-5,7-8,12-13,16,20,34H,1,3,6,9-11,14-15H2,(H,30,31,36);1-3,8-9,12-13,16,19,34H,4-7,10-11,14-15H2,(H,30,31,36);2,4-5,7-8,12-13,16,20,24,33H,1,3,6,9-11,14-15H2,(H,29,30,35);3,5-6,8-9,12-13,18,21,24,33H,1-2,4,7,10-11,14-15H2,(H,29,30,35)/t;;;18-,21+/m...1/s1
InChIKeyLCLIZYVCYRKCHK-VPXSVHQGSA-N
XLogP17.41
TPSA386.76 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002030.10
LogP ≤ 517.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(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-[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-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688422
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
3-(difluoromethyl)-N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688544
N-[1-[2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126720185
N-[1-[4-[2-hydroxy-2-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-4-yl]ethyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 142233878
3-(difluoromethyl)-N-[1-[2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 145277938
N-[5-(4-acetyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperazin-1-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(2-oxo-1H-pyridin-4-yl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperazin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 157069870

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159310308) is 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCCC(CO)C1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCCC(CO)C1)c1cccc(C(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-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is LCLIZYVCYRKCHK-VPXSVHQGSA-N. The full InChI is InChI=1S/2C26H27F3N4O4.2C26H28F2N4O4/c27-26(28,29)18-5-2-4-17(12-18)24(36)31-25-30-21-13-19(32-9-10-37-15-23(32)35)7-8-22(21)33(25)20-6-1-3-16(11-20)14-34;27-26(28,29)18-3-1-2-17(12-18)24(36)31-25-30-21-13-20(32-10-11-37-15-23(32)35)8-9-22(21)33(25)19-6-4-16(14-34)5-7-19;27-24(28)17-4-2-5-18(12-17)25(35)30-26-29-21-13-19(31-9-10-36-15-23(31)34)7-8-22(21)32(26)20-6-1-3-16(11-20)14-33;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/h2,4-5,7-8,12-13,16,20,34H,1,3,6,9-11,14-15H2,(H,30,31,36);1-3,8-9,12-13,16,19,34H,4-7,10-11,14-15H2,(H,30,31,36);2,4-5,7-8,12-13,16,20,24,33H,1,3,6,9-11,14-15H2,(H,29,30,35);3,5-6,8-9,12-13,18,21,24,33H,1-2,4,7,10-11,14-15H2,(H,29,30,35)/t;;;18-,21+/m...1/s1.
What are the key properties of 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2030.10 g/mol, XLogP of 17.41, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-[3-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159310308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).