3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C75H76F5N13O12 — CID 157309188

IUPAC3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C25H25F3N4O4.C25H26F2N4O4.C25H25N5O4/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;26-23(27)15-2-1-3-16(12-15)24(34)29-25-28-20-13-18(30-10-11-35-14-22(30)33)6-9-21(20)31(25)17-4-7-19(32)8-5-17;26-14-16-2-1-3-17(12-16)24(33)28-25-27-21-13-19(29-10-11-34-15-23(29)32)6-9-22(21)30(25)18-4-7-20(31)8-5-18/h1-3,6,9,12-13,17,19,33H,4-5,7-8,10-11,14H2,(H,29,30,35);1-3,6,9,12-13,17,19,23,32H,4-5,7-8,10-11,14H2,(H,28,29,34);1-3,6,9,12-13,18,20,31H,4-5,7-8,10-11,15H2,(H,27,28,33)
InChIKeyBCVMAIVPTLEYQR-UHFFFAOYSA-N
MW1446.50 g/mol
LogP11.21
Rot. Bonds13

About 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 157309188) has the molecular formula C75H76F5N13O12 and a molecular weight of 1446.50 g/mol. Its IUPAC name is 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID157309188
Molecular FormulaC75H76F5N13O12
Molecular Weight1446.50 g/mol
Exact Mass1445.57
IUPAC Name3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)F)c1
InChIInChI=1S/C25H25F3N4O4.C25H26F2N4O4.C25H25N5O4/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;26-23(27)15-2-1-3-16(12-15)24(34)29-25-28-20-13-18(30-10-11-35-14-22(30)33)6-9-21(20)31(25)17-4-7-19(32)8-5-17;26-14-16-2-1-3-17(12-16)24(33)28-25-27-21-13-19(29-10-11-34-15-23(29)32)6-9-22(21)30(25)18-4-7-20(31)8-5-18/h1-3,6,9,12-13,17,19,33H,4-5,7-8,10-11,14H2,(H,29,30,35);1-3,6,9,12-13,17,19,23,32H,4-5,7-8,10-11,14H2,(H,28,29,34);1-3,6,9,12-13,18,20,31H,4-5,7-8,10-11,15H2,(H,27,28,33)
InChIKeyBCVMAIVPTLEYQR-UHFFFAOYSA-N
XLogP11.21
TPSA313.86 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001446.50
LogP ≤ 511.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[1-[(2S)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688270
3-(difluoromethyl)-N-[1-(4-hydroxybutan-2-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688272
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
N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688390
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-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688436

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 157309188) is 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2C2CCC(O)CC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)F)c1.
What is the InChIKey of 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BCVMAIVPTLEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C25H26F2N4O4.C25H25N5O4/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;26-23(27)15-2-1-3-16(12-15)24(34)29-25-28-20-13-18(30-10-11-35-14-22(30)33)6-9-21(20)31(25)17-4-7-19(32)8-5-17;26-14-16-2-1-3-17(12-16)24(33)28-25-27-21-13-19(29-10-11-34-15-23(29)32)6-9-22(21)30(25)18-4-7-20(31)8-5-18/h1-3,6,9,12-13,17,19,33H,4-5,7-8,10-11,14H2,(H,29,30,35);1-3,6,9,12-13,17,19,23,32H,4-5,7-8,10-11,14H2,(H,28,29,34);1-3,6,9,12-13,18,20,31H,4-5,7-8,10-11,15H2,(H,27,28,33).
What are the key properties of 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1446.50 g/mol, XLogP of 11.21, 13 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157309188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).