N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide

C76H84F7N15O9 — CID 161407386

IUPACN-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide
SMILESCC(C)N1CCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(=O)C1.O=C(Nc1nc2cc(N3CCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CCC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C26H29F2N5O3.C25H26F3N5O3.C25H29F2N5O3/c27-24(28)17-4-1-5-18(14-17)25(36)30-26-29-21-15-20(8-9-22(21)33(26)10-3-13-34)32-12-11-31(16-23(32)35)19-6-2-7-19;26-25(27,28)17-4-1-3-16(13-17)23(36)30-24-29-20-14-19(7-8-21(20)33(24)9-2-12-34)32-11-10-31(15-22(32)35)18-5-6-18;1-16(2)30-10-11-31(22(34)15-30)19-7-8-21-20(14-19)28-25(32(21)9-4-12-33)29-24(35)18-6-3-5-17(13-18)23(26)27/h1,4-5,8-9,14-15,19,24,34H,2-3,6-7,10-13,16H2,(H,29,30,36);1,3-4,7-8,13-14,18,34H,2,5-6,9-12,15H2,(H,29,30,36);3,5-8,13-14,16,23,33H,4,9-12,15H2,1-2H3,(H,28,29,35)
InChIKeyVVABQWPMKFQKEL-UHFFFAOYSA-N
MW1484.59 g/mol
LogP10.98
Rot. Bonds23

About N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide

N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide (PubChem CID 161407386) has the molecular formula C76H84F7N15O9 and a molecular weight of 1484.59 g/mol. Its IUPAC name is N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide
PubChem CID161407386
Molecular FormulaC76H84F7N15O9
Molecular Weight1484.59 g/mol
Exact Mass1483.65
IUPAC NameN-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide
SMILESCC(C)N1CCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(=O)C1.O=C(Nc1nc2cc(N3CCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CCC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C26H29F2N5O3.C25H26F3N5O3.C25H29F2N5O3/c27-24(28)17-4-1-5-18(14-17)25(36)30-26-29-21-15-20(8-9-22(21)33(26)10-3-13-34)32-12-11-31(16-23(32)35)19-6-2-7-19;26-25(27,28)17-4-1-3-16(13-17)23(36)30-24-29-20-14-19(7-8-21(20)33(24)9-2-12-34)32-11-10-31(15-22(32)35)18-5-6-18;1-16(2)30-10-11-31(22(34)15-30)19-7-8-21-20(14-19)28-25(32(21)9-4-12-33)29-24(35)18-6-3-5-17(13-18)23(26)27/h1,4-5,8-9,14-15,19,24,34H,2-3,6-7,10-13,16H2,(H,29,30,36);1,3-4,7-8,13-14,18,34H,2,5-6,9-12,15H2,(H,29,30,36);3,5-8,13-14,16,23,33H,4,9-12,15H2,1-2H3,(H,28,29,35)
InChIKeyVVABQWPMKFQKEL-UHFFFAOYSA-N
XLogP10.98
TPSA272.10 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001484.59
LogP ≤ 510.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide with MolForge

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Related Compounds

N-[3-[[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 87392184
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
N-[1-(3-hydroxypropyl)-5-(3-methyl-2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688241
N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 126688252
N-[5-(3,3-dimethyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688253
3-(difluoromethyl)-N-[5-[4-(2-hydroxyethyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
CID 126688263
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-diazinan-1-yl)benzimidazol-2-yl]benzamide
CID 126688276
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide
CID 126688285
N-[5-[4-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide
CID 126688294
N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688317

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide (CID 161407386) is N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide is CC(C)N1CCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C(=O)C1.O=C(Nc1nc2cc(N3CCN(C4CC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCN(C4CCC4)CC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.
What is the InChIKey of N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide?
The InChIKey is VVABQWPMKFQKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O3.C25H26F3N5O3.C25H29F2N5O3/c27-24(28)17-4-1-5-18(14-17)25(36)30-26-29-21-15-20(8-9-22(21)33(26)10-3-13-34)32-12-11-31(16-23(32)35)19-6-2-7-19;26-25(27,28)17-4-1-3-16(13-17)23(36)30-24-29-20-14-19(7-8-21(20)33(24)9-2-12-34)32-11-10-31(15-22(32)35)18-5-6-18;1-16(2)30-10-11-31(22(34)15-30)19-7-8-21-20(14-19)28-25(32(21)9-4-12-33)29-24(35)18-6-3-5-17(13-18)23(26)27/h1,4-5,8-9,14-15,19,24,34H,2-3,6-7,10-13,16H2,(H,29,30,36);1,3-4,7-8,13-14,18,34H,2,5-6,9-12,15H2,(H,29,30,36);3,5-8,13-14,16,23,33H,4,9-12,15H2,1-2H3,(H,28,29,35).
What are the key properties of N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide?
N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide has a molecular weight of 1484.59 g/mol, XLogP of 10.98, 23 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclobutyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[5-(4-cyclopropyl-2-oxopiperazin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 161407386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).