3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C99H100F12N14O12 — CID 157322828

IUPAC3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CCC[C@@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3C[C@](C)(F)CO)C1=O.CN1CCC[C@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3C[C@@](C)(F)CO)C1=O.C[C@@](F)(CO)Cn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(C3CCCCC3=O)ccc21.O=C1CC=CC=C1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChIInChI=1S/2C25H27F3N4O3.C25H26F3N3O3.C24H20F3N3O3/c2*1-25(28,14-33)13-32-20-9-8-15(18-7-4-10-31(2)23(18)35)12-19(20)29-24(32)30-22(34)17-6-3-5-16(11-17)21(26)27;1-25(28,14-32)13-31-20-10-9-15(18-7-2-3-8-21(18)33)12-19(20)29-24(31)30-23(34)17-6-4-5-16(11-17)22(26)27;25-24(26,27)17-6-3-5-16(13-17)22(33)29-23-28-19-14-15(18-7-1-2-8-21(18)32)9-10-20(19)30(23)11-4-12-31/h2*3,5-6,8-9,11-12,18,21,33H,4,7,10,13-14H2,1-2H3,(H,29,30,34);4-6,9-12,18,22,32H,2-3,7-8,13-14H2,1H3,(H,29,30,34);1-3,5-7,9-10,13-14,31H,4,8,11-12H2,(H,28,29,33)/t2*18-,25-;18?,25-;/m100./s1
InChIKeyBEJHBGVXXINGIM-VJZWARLQSA-N
MW1905.95 g/mol
LogP18.34
Rot. Bonds27

About 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 157322828) has the molecular formula C99H100F12N14O12 and a molecular weight of 1905.95 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID157322828
Molecular FormulaC99H100F12N14O12
Molecular Weight1905.95 g/mol
Exact Mass1904.75
IUPAC Name3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCN1CCC[C@@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3C[C@](C)(F)CO)C1=O.CN1CCC[C@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3C[C@@](C)(F)CO)C1=O.C[C@@](F)(CO)Cn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(C3CCCCC3=O)ccc21.O=C1CC=CC=C1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO
InChIInChI=1S/2C25H27F3N4O3.C25H26F3N3O3.C24H20F3N3O3/c2*1-25(28,14-33)13-32-20-9-8-15(18-7-4-10-31(2)23(18)35)12-19(20)29-24(32)30-22(34)17-6-3-5-16(11-17)21(26)27;1-25(28,14-32)13-31-20-10-9-15(18-7-2-3-8-21(18)33)12-19(20)29-24(31)30-23(34)17-6-4-5-16(11-17)22(26)27;25-24(26,27)17-6-3-5-16(13-17)22(33)29-23-28-19-14-15(18-7-1-2-8-21(18)32)9-10-20(19)30(23)11-4-12-31/h2*3,5-6,8-9,11-12,18,21,33H,4,7,10,13-14H2,1-2H3,(H,29,30,34);4-6,9-12,18,22,32H,2-3,7-8,13-14H2,1H3,(H,29,30,34);1-3,5-7,9-10,13-14,31H,4,8,11-12H2,(H,28,29,33)/t2*18-,25-;18?,25-;/m100./s1
InChIKeyBEJHBGVXXINGIM-VJZWARLQSA-N
XLogP18.34
TPSA343.36 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001905.95
LogP ≤ 518.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 66728791
N-[5-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 138620560
4-fluoro-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-[[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methyl]benzimidazol-2-yl]benzamide
CID 56650030
4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 56650033
4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(piperidine-1-carbonyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 56650700
8-[4-[2-[(4-Fluorobenzoyl)amino]-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]benzimidazol-1-yl]cyclohexanecarbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 66728975
CID 87761878
CID 87761878
bis(N-[1-[3-(4-methylpiperazin-1-yl)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide);hydrate
CID 88821868
N-[5-[[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118223846
N-[5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1-(1-prop-2-enoylpiperidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118223946
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 157322828) is 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CN1CCC[C@@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3C[C@](C)(F)CO)C1=O.CN1CCC[C@H](c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3C[C@@](C)(F)CO)C1=O.C[C@@](F)(CO)Cn1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(C3CCCCC3=O)ccc21.O=C1CC=CC=C1c1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.
What is the InChIKey of 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BEJHBGVXXINGIM-VJZWARLQSA-N. The full InChI is InChI=1S/2C25H27F3N4O3.C25H26F3N3O3.C24H20F3N3O3/c2*1-25(28,14-33)13-32-20-9-8-15(18-7-4-10-31(2)23(18)35)12-19(20)29-24(32)30-22(34)17-6-3-5-16(11-17)21(26)27;1-25(28,14-32)13-31-20-10-9-15(18-7-2-3-8-21(18)33)12-19(20)29-24(31)30-23(34)17-6-4-5-16(11-17)22(26)27;25-24(26,27)17-6-3-5-16(13-17)22(33)29-23-28-19-14-15(18-7-1-2-8-21(18)32)9-10-20(19)30(23)11-4-12-31/h2*3,5-6,8-9,11-12,18,21,33H,4,7,10,13-14H2,1-2H3,(H,29,30,34);4-6,9-12,18,22,32H,2-3,7-8,13-14H2,1H3,(H,29,30,34);1-3,5-7,9-10,13-14,31H,4,8,11-12H2,(H,28,29,33)/t2*18-,25-;18?,25-;/m100./s1.
What are the key properties of 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1905.95 g/mol, XLogP of 18.34, 27 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157322828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).