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

C94H95F7N20O15 — CID 157069870

IUPACN-[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
SMILESCC(=O)N1CCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(=O)C1.O=C(Nc1nc2cc(N3CCNCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCNCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C26H25N5O5.C24H25F2N5O4.C22H22F3N5O3.C22H23F2N5O3/c32-11-2-9-31-22-6-5-20(30-10-12-36-16-24(30)34)15-21(22)28-26(31)29-25(35)19-4-1-3-17(13-19)18-7-8-27-23(33)14-18;1-15(33)29-9-10-30(21(34)14-29)18-6-7-20-19(13-18)27-24(31(20)8-3-11-32)28-23(35)17-5-2-4-16(12-17)22(25)26;23-22(24,25)15-4-1-3-14(11-15)20(33)28-21-27-17-12-16(29-9-7-26-13-19(29)32)5-6-18(17)30(21)8-2-10-31;23-20(24)14-3-1-4-15(11-14)21(32)27-22-26-17-12-16(28-9-7-25-13-19(28)31)5-6-18(17)29(22)8-2-10-30/h1,3-8,13-15,32H,2,9-12,16H2,(H,27,33)(H,28,29,35);2,4-7,12-13,22,32H,3,8-11,14H2,1H3,(H,27,28,35);1,3-6,11-12,26,31H,2,7-10,13H2,(H,27,28,33);1,3-6,11-12,20,25,30H,2,7-10,13H2,(H,26,27,32)
InChIKeyACHMBFNWOZRFBB-UHFFFAOYSA-N
MW1877.90 g/mol
LogP10.36
Rot. Bonds27

About 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

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 (PubChem CID 157069870) has the molecular formula C94H95F7N20O15 and a molecular weight of 1877.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157069870
Molecular FormulaC94H95F7N20O15
Molecular Weight1877.90 g/mol
Exact Mass1876.72
IUPAC NameN-[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
SMILESCC(=O)N1CCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(=O)C1.O=C(Nc1nc2cc(N3CCNCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCNCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(-c2cc[nH]c(=O)c2)c1
InChIInChI=1S/C26H25N5O5.C24H25F2N5O4.C22H22F3N5O3.C22H23F2N5O3/c32-11-2-9-31-22-6-5-20(30-10-12-36-16-24(30)34)15-21(22)28-26(31)29-25(35)19-4-1-3-17(13-19)18-7-8-27-23(33)14-18;1-15(33)29-9-10-30(21(34)14-29)18-6-7-20-19(13-18)27-24(31(20)8-3-11-32)28-23(35)17-5-2-4-16(12-17)22(25)26;23-22(24,25)15-4-1-3-14(11-15)20(33)28-21-27-17-12-16(29-9-7-26-13-19(29)32)5-6-18(17)30(21)8-2-10-31;23-20(24)14-3-1-4-15(11-14)21(32)27-22-26-17-12-16(28-9-7-25-13-19(28)31)5-6-18(17)29(22)8-2-10-30/h1,3-8,13-15,32H,2,9-12,16H2,(H,27,33)(H,28,29,35);2,4-7,12-13,22,32H,3,8-11,14H2,1H3,(H,27,28,35);1,3-6,11-12,26,31H,2,7-10,13H2,(H,27,28,33);1,3-6,11-12,20,25,30H,2,7-10,13H2,(H,26,27,32)
InChIKeyACHMBFNWOZRFBB-UHFFFAOYSA-N
XLogP10.36
TPSA436.30 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001877.90
LogP ≤ 510.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-methyl-3-[[1-(6-morpholin-4-ylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87761922
3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
CID 126688243
3-[1-(difluoromethyl)-2-oxopyridin-4-yl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688247
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-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688288
N-[6-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688291
3-fluoro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)benzamide
CID 126688301
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688310
N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688348
2-fluoro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688354
N-ethyl-4-[5-(3-oxomorpholin-4-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]piperidine-1-carboxamide
CID 126688382

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(=O)C1.O=C(Nc1nc2cc(N3CCNCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCNCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(-c2cc[nH]c(=O)c2)c1.
What is the InChIKey of 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?
The InChIKey is ACHMBFNWOZRFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O5.C24H25F2N5O4.C22H22F3N5O3.C22H23F2N5O3/c32-11-2-9-31-22-6-5-20(30-10-12-36-16-24(30)34)15-21(22)28-26(31)29-25(35)19-4-1-3-17(13-19)18-7-8-27-23(33)14-18;1-15(33)29-9-10-30(21(34)14-29)18-6-7-20-19(13-18)27-24(31(20)8-3-11-32)28-23(35)17-5-2-4-16(12-17)22(25)26;23-22(24,25)15-4-1-3-14(11-15)20(33)28-21-27-17-12-16(29-9-7-26-13-19(29)32)5-6-18(17)30(21)8-2-10-31;23-20(24)14-3-1-4-15(11-14)21(32)27-22-26-17-12-16(28-9-7-25-13-19(28)31)5-6-18(17)29(22)8-2-10-30/h1,3-8,13-15,32H,2,9-12,16H2,(H,27,33)(H,28,29,35);2,4-7,12-13,22,32H,3,8-11,14H2,1H3,(H,27,28,35);1,3-6,11-12,26,31H,2,7-10,13H2,(H,27,28,33);1,3-6,11-12,20,25,30H,2,7-10,13H2,(H,26,27,32).
What are the key properties of 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?
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 has a molecular weight of 1877.90 g/mol, XLogP of 10.36, 27 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157069870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).