3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C117H120F14N20O15 — CID 158183847

IUPAC3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C25H27F3N4O3.3C23H23F3N4O3.C23H24F2N4O3/c1-24(2)18(14-31(3)22(24)35)15-8-9-20-19(13-15)29-23(32(20)10-5-11-33)30-21(34)16-6-4-7-17(12-16)25(26,27)28;3*1-29-10-8-17(21(29)33)14-6-7-19-18(13-14)27-22(30(19)9-3-11-31)28-20(32)15-4-2-5-16(12-15)23(24,25)26;1-28-10-8-17(22(28)32)14-6-7-19-18(13-14)26-23(29(19)9-3-11-30)27-21(31)16-5-2-4-15(12-16)20(24)25/h4,6-9,12-13,18,33H,5,10-11,14H2,1-3H3,(H,29,30,34);3*2,4-7,12-13,17,31H,3,8-11H2,1H3,(H,27,28,32);2,4-7,12-13,17,20,30H,3,8-11H2,1H3,(H,26,27,31)
InChIKeyFYXKRLCPKRWIEI-UHFFFAOYSA-N
MW2312.34 g/mol
LogP18.73
Rot. Bonds31

About 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158183847) has the molecular formula C117H120F14N20O15 and a molecular weight of 2312.34 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID158183847
Molecular FormulaC117H120F14N20O15
Molecular Weight2312.34 g/mol
Exact Mass2310.90
IUPAC Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O
InChIInChI=1S/C25H27F3N4O3.3C23H23F3N4O3.C23H24F2N4O3/c1-24(2)18(14-31(3)22(24)35)15-8-9-20-19(13-15)29-23(32(20)10-5-11-33)30-21(34)16-6-4-7-17(12-16)25(26,27)28;3*1-29-10-8-17(21(29)33)14-6-7-19-18(13-14)27-22(30(19)9-3-11-31)28-20(32)15-4-2-5-16(12-15)23(24,25)26;1-28-10-8-17(22(28)32)14-6-7-19-18(13-14)26-23(29(19)9-3-11-30)27-21(31)16-5-2-4-15(12-16)20(24)25/h4,6-9,12-13,18,33H,5,10-11,14H2,1-3H3,(H,29,30,34);3*2,4-7,12-13,17,31H,3,8-11H2,1H3,(H,27,28,32);2,4-7,12-13,17,20,30H,3,8-11H2,1H3,(H,26,27,31)
InChIKeyFYXKRLCPKRWIEI-UHFFFAOYSA-N
XLogP18.73
TPSA437.30 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002312.34
LogP ≤ 518.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

5-[2-[8-[2-[2-(3,4-Dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-11-oxoisoindolo[2,1-a]benzimidazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 57959079
8-[2-[2-(5-Acetyl-6-methyl-1,5,7,11-tetrazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-2(10),3,6,8,11,13(18),14,16-octaen-16-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-11-oxoisoindolo[2,1-a]benzimidazol-8-yl]-2-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindolo[2,3-a]benzimidazol-11-one
CID 57959114
bis(N-[1-[3-(4-methylpiperazin-1-yl)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);hydrate
CID 88821868
N-[5-methyl-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-methyl-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118396001
CID 118396002
CID 118396002
3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide
CID 126689243
N-[1-(2,3-dihydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689245
N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689247
N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyridin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689249
N-[1-[(3S)-3,4-dihydroxybutyl]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689250
3-(difluoromethyl)-N-[5-[(2S)-1,2-dimethyl-5-oxopyrrolidin-2-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
CID 126689251
N-[1-(3-hydroxypropyl)-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689252

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158183847) is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C(C)(C)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CN1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is FYXKRLCPKRWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3.3C23H23F3N4O3.C23H24F2N4O3/c1-24(2)18(14-31(3)22(24)35)15-8-9-20-19(13-15)29-23(32(20)10-5-11-33)30-21(34)16-6-4-7-17(12-16)25(26,27)28;3*1-29-10-8-17(21(29)33)14-6-7-19-18(13-14)27-22(30(19)9-3-11-31)28-20(32)15-4-2-5-16(12-15)23(24,25)26;1-28-10-8-17(22(28)32)14-6-7-19-18(13-14)26-23(29(19)9-3-11-30)27-21(31)16-5-2-4-15(12-16)20(24)25/h4,6-9,12-13,18,33H,5,10-11,14H2,1-3H3,(H,29,30,34);3*2,4-7,12-13,17,31H,3,8-11H2,1H3,(H,27,28,32);2,4-7,12-13,17,20,30H,3,8-11H2,1H3,(H,26,27,31).
What are the key properties of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2312.34 g/mol, XLogP of 18.73, 31 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide;tris(N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158183847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).