3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide

C113H120Br3Cl4F4N15O6 — CID 159857849

IUPAC3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide
SMILESCC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(C(F)(F)F)c1.CC(C)CN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1.CCCCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C30H32FN3O2.C22H23ClF3N3O.C21H23BrClN3O.2C20H21BrClN3O/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24;1-14(2)9-10-29(21(30)15-5-4-6-16(11-15)22(24,25)26)13-20-27-18-12-17(23)7-8-19(18)28(20)3;1-14(2)9-10-26(21(27)15-5-4-6-16(22)11-15)13-20-24-18-12-17(23)7-8-19(18)25(20)3;1-13(2)11-25(20(26)14-5-4-6-15(21)9-14)12-19-23-17-10-16(22)7-8-18(17)24(19)3;1-3-4-10-25(20(26)14-6-5-7-15(21)11-14)13-19-23-17-12-16(22)8-9-18(17)24(19)2/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13H,11-12H2,1-3H3;5-9,11-12H,3-4,10,13H2,1-2H3
InChIKeyNQTJGRSKFJEBLF-UHFFFAOYSA-N
MW2241.82 g/mol
LogP29.71
Rot. Bonds31

About 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide

3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide (PubChem CID 159857849) has the molecular formula C113H120Br3Cl4F4N15O6 and a molecular weight of 2241.82 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide
PubChem CID159857849
Molecular FormulaC113H120Br3Cl4F4N15O6
Molecular Weight2241.82 g/mol
Exact Mass2235.58
IUPAC Name3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide
SMILESCC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(C(F)(F)F)c1.CC(C)CN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1.CCCCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C30H32FN3O2.C22H23ClF3N3O.C21H23BrClN3O.2C20H21BrClN3O/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24;1-14(2)9-10-29(21(30)15-5-4-6-16(11-15)22(24,25)26)13-20-27-18-12-17(23)7-8-19(18)28(20)3;1-14(2)9-10-26(21(27)15-5-4-6-16(22)11-15)13-20-24-18-12-17(23)7-8-19(18)25(20)3;1-13(2)11-25(20(26)14-5-4-6-15(21)9-14)12-19-23-17-10-16(22)7-8-18(17)24(19)3;1-3-4-10-25(20(26)14-6-5-7-15(21)11-14)13-19-23-17-12-16(22)8-9-18(17)24(19)2/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13H,11-12H2,1-3H3;5-9,11-12H,3-4,10,13H2,1-2H3
InChIKeyNQTJGRSKFJEBLF-UHFFFAOYSA-N
XLogP29.71
TPSA199.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002241.82
LogP ≤ 529.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
The IUPAC name of 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide (CID 159857849) is 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide.
What is the SMILES notation for 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
The canonical SMILES for 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide is CC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(C(F)(F)F)c1.CC(C)CN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cccc(Oc2ccccc2)c1.CCCCN(Cc1nc2cc(Cl)ccc2n1C)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
The InChIKey is NQTJGRSKFJEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2.C22H23ClF3N3O.C21H23BrClN3O.2C20H21BrClN3O/c1-21(2)19-33(30(35)22-9-8-14-26(17-22)36-25-12-4-3-5-13-25)20-29-32-27-18-23(31)15-16-28(27)34(29)24-10-6-7-11-24;1-14(2)9-10-29(21(30)15-5-4-6-16(11-15)22(24,25)26)13-20-27-18-12-17(23)7-8-19(18)28(20)3;1-14(2)9-10-26(21(27)15-5-4-6-16(22)11-15)13-20-24-18-12-17(23)7-8-19(18)25(20)3;1-13(2)11-25(20(26)14-5-4-6-15(21)9-14)12-19-23-17-10-16(22)7-8-18(17)24(19)3;1-3-4-10-25(20(26)14-6-5-7-15(21)11-14)13-19-23-17-12-16(22)8-9-18(17)24(19)2/h3-5,8-9,12-18,21,24H,6-7,10-11,19-20H2,1-2H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;4-10,13H,11-12H2,1-3H3;5-9,11-12H,3-4,10,13H2,1-2H3.
What are the key properties of 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide?
3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide has a molecular weight of 2241.82 g/mol, XLogP of 29.71, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-bromo-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-3-phenoxybenzamide is sourced from PubChem (CID 159857849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).