3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C132H174F5N19O5 — CID 159461741

IUPAC3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC(C)CC)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC3CCC3)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNCC)c2)nc2ccccc21
InChIInChI=1S/C28H38N4O.C28H40N4O.C26H36N4O.C25H26F5N3O.C25H34N4O/c1-4-16-32-26-14-6-5-13-25(26)30-27(32)20-31(17-15-21(2)3)28(33)23-10-7-9-22(18-23)19-29-24-11-8-12-24;1-6-16-32-26-14-9-8-13-25(26)30-27(32)20-31(17-15-21(3)4)28(33)24-12-10-11-23(18-24)19-29-22(5)7-2;1-5-15-30-24-13-8-7-12-23(24)28-25(30)19-29(16-14-20(3)4)26(31)22-11-9-10-21(17-22)18-27-6-2;1-2-3-13-32(24(34)23-18(25(28,29)30)9-6-10-19(23)27)15-22-31-20-14-16(26)11-12-21(20)33(22)17-7-4-5-8-17;1-5-14-29-23-12-7-6-11-22(23)27-24(29)18-28(15-13-19(2)3)25(30)21-10-8-9-20(16-21)17-26-4/h5-7,9-10,13-14,18,21,24,29H,4,8,11-12,15-17,19-20H2,1-3H3;8-14,18,21-22,29H,6-7,15-17,19-20H2,1-5H3;7-13,17,20,27H,5-6,14-16,18-19H2,1-4H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;6-12,16,19,26H,5,13-15,17-18H2,1-4H3
InChIKeyLURDMYUPTMRAKR-UHFFFAOYSA-N
MW2201.96 g/mol
LogP28.79
Rot. Bonds51

About 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 159461741) has the molecular formula C132H174F5N19O5 and a molecular weight of 2201.96 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID159461741
Molecular FormulaC132H174F5N19O5
Molecular Weight2201.96 g/mol
Exact Mass2200.39
IUPAC Name3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC(C)CC)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC3CCC3)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNCC)c2)nc2ccccc21
InChIInChI=1S/C28H38N4O.C28H40N4O.C26H36N4O.C25H26F5N3O.C25H34N4O/c1-4-16-32-26-14-6-5-13-25(26)30-27(32)20-31(17-15-21(2)3)28(33)23-10-7-9-22(18-23)19-29-24-11-8-12-24;1-6-16-32-26-14-9-8-13-25(26)30-27(32)20-31(17-15-21(3)4)28(33)24-12-10-11-23(18-24)19-29-22(5)7-2;1-5-15-30-24-13-8-7-12-23(24)28-25(30)19-29(16-14-20(3)4)26(31)22-11-9-10-21(17-22)18-27-6-2;1-2-3-13-32(24(34)23-18(25(28,29)30)9-6-10-19(23)27)15-22-31-20-14-16(26)11-12-21(20)33(22)17-7-4-5-8-17;1-5-14-29-23-12-7-6-11-22(23)27-24(29)18-28(15-13-19(2)3)25(30)21-10-8-9-20(16-21)17-26-4/h5-7,9-10,13-14,18,21,24,29H,4,8,11-12,15-17,19-20H2,1-3H3;8-14,18,21-22,29H,6-7,15-17,19-20H2,1-5H3;7-13,17,20,27H,5-6,14-16,18-19H2,1-4H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;6-12,16,19,26H,5,13-15,17-18H2,1-4H3
InChIKeyLURDMYUPTMRAKR-UHFFFAOYSA-N
XLogP28.79
TPSA238.77 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds51
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002201.96
LogP ≤ 528.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 159461741) is 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1c(F)cccc1C(F)(F)F.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC(C)CC)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNC3CCC3)c2)nc2ccccc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(CNCC)c2)nc2ccccc21.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is LURDMYUPTMRAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O.C28H40N4O.C26H36N4O.C25H26F5N3O.C25H34N4O/c1-4-16-32-26-14-6-5-13-25(26)30-27(32)20-31(17-15-21(2)3)28(33)23-10-7-9-22(18-23)19-29-24-11-8-12-24;1-6-16-32-26-14-9-8-13-25(26)30-27(32)20-31(17-15-21(3)4)28(33)24-12-10-11-23(18-24)19-29-22(5)7-2;1-5-15-30-24-13-8-7-12-23(24)28-25(30)19-29(16-14-20(3)4)26(31)22-11-9-10-21(17-22)18-27-6-2;1-2-3-13-32(24(34)23-18(25(28,29)30)9-6-10-19(23)27)15-22-31-20-14-16(26)11-12-21(20)33(22)17-7-4-5-8-17;1-5-14-29-23-12-7-6-11-22(23)27-24(29)18-28(15-13-19(2)3)25(30)21-10-8-9-20(16-21)17-26-4/h5-7,9-10,13-14,18,21,24,29H,4,8,11-12,15-17,19-20H2,1-3H3;8-14,18,21-22,29H,6-7,15-17,19-20H2,1-5H3;7-13,17,20,27H,5-6,14-16,18-19H2,1-4H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;6-12,16,19,26H,5,13-15,17-18H2,1-4H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 2201.96 g/mol, XLogP of 28.79, 51 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-fluoro-6-(trifluoromethyl)benzamide;3-[(cyclobutylamino)methyl]-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(ethylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-(methylaminomethyl)-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 159461741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).