3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide

C86H88Cl3F7N18O8 — CID 161466464

IUPAC3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide
SMILESCCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(Cl)c(Cl)cc21.CCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(Cl)c(F)cc21.CNC(=O)c1cccc(Nc2nc3cc(-c4ccccc4)c(C(F)(F)F)cc3n2CCOC)c1.N#Cc1cc2nc(Nc3cccc(C(=O)NO)c3)n(CCCCCN)c2cc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O2.C21H21F3N6O2.C20H22Cl2N4O2.C20H22ClFN4O2/c1-29-23(33)17-9-6-10-18(13-17)30-24-31-21-14-19(16-7-4-3-5-8-16)20(25(26,27)28)15-22(21)32(24)11-12-34-2;22-21(23,24)16-11-18-17(10-14(16)12-26)28-20(30(18)8-3-1-2-7-25)27-15-6-4-5-13(9-15)19(31)29-32;2*1-2-3-4-5-9-26-18-12-16(22)15(21)11-17(18)24-20(26)23-14-8-6-7-13(10-14)19(27)25-28/h3-10,13-15H,11-12H2,1-2H3,(H,29,33)(H,30,31);4-6,9-11,32H,1-3,7-8,25H2,(H,27,28)(H,29,31);2*6-8,10-12,28H,2-5,9H2,1H3,(H,23,24)(H,25,27)
InChIKeyWCMSRRHNOXJVIF-UHFFFAOYSA-N
MW1741.11 g/mol
LogP20.45
Rot. Bonds31

About 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide

3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide (PubChem CID 161466464) has the molecular formula C86H88Cl3F7N18O8 and a molecular weight of 1741.11 g/mol. Its IUPAC name is 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide
PubChem CID161466464
Molecular FormulaC86H88Cl3F7N18O8
Molecular Weight1741.11 g/mol
Exact Mass1738.60
IUPAC Name3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide
SMILESCCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(Cl)c(Cl)cc21.CCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(Cl)c(F)cc21.CNC(=O)c1cccc(Nc2nc3cc(-c4ccccc4)c(C(F)(F)F)cc3n2CCOC)c1.N#Cc1cc2nc(Nc3cccc(C(=O)NO)c3)n(CCCCCN)c2cc1C(F)(F)F
InChIInChI=1S/C25H23F3N4O2.C21H21F3N6O2.C20H22Cl2N4O2.C20H22ClFN4O2/c1-29-23(33)17-9-6-10-18(13-17)30-24-31-21-14-19(16-7-4-3-5-8-16)20(25(26,27)28)15-22(21)32(24)11-12-34-2;22-21(23,24)16-11-18-17(10-14(16)12-26)28-20(30(18)8-3-1-2-7-25)27-15-6-4-5-13(9-15)19(31)29-32;2*1-2-3-4-5-9-26-18-12-16(22)15(21)11-17(18)24-20(26)23-14-8-6-7-13(10-14)19(27)25-28/h3-10,13-15H,11-12H2,1-2H3,(H,29,33)(H,30,31);4-6,9-11,32H,1-3,7-8,25H2,(H,27,28)(H,29,31);2*6-8,10-12,28H,2-5,9H2,1H3,(H,23,24)(H,25,27)
InChIKeyWCMSRRHNOXJVIF-UHFFFAOYSA-N
XLogP20.45
TPSA355.53 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001741.11
LogP ≤ 520.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide (CID 161466464) is 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide is CCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(Cl)c(Cl)cc21.CCCCCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(Cl)c(F)cc21.CNC(=O)c1cccc(Nc2nc3cc(-c4ccccc4)c(C(F)(F)F)cc3n2CCOC)c1.N#Cc1cc2nc(Nc3cccc(C(=O)NO)c3)n(CCCCCN)c2cc1C(F)(F)F.
What is the InChIKey of 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide?
The InChIKey is WCMSRRHNOXJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2.C21H21F3N6O2.C20H22Cl2N4O2.C20H22ClFN4O2/c1-29-23(33)17-9-6-10-18(13-17)30-24-31-21-14-19(16-7-4-3-5-8-16)20(25(26,27)28)15-22(21)32(24)11-12-34-2;22-21(23,24)16-11-18-17(10-14(16)12-26)28-20(30(18)8-3-1-2-7-25)27-15-6-4-5-13(9-15)19(31)29-32;2*1-2-3-4-5-9-26-18-12-16(22)15(21)11-17(18)24-20(26)23-14-8-6-7-13(10-14)19(27)25-28/h3-10,13-15H,11-12H2,1-2H3,(H,29,33)(H,30,31);4-6,9-11,32H,1-3,7-8,25H2,(H,27,28)(H,29,31);2*6-8,10-12,28H,2-5,9H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide?
3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide has a molecular weight of 1741.11 g/mol, XLogP of 20.45, 31 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 161466464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).