3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide

C138H165Br3Cl6N18O9 — CID 158141695

IUPAC3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(Cl)ccc2OC)nc2ccc(Cl)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Br)cc2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H29Cl2N3O2.2C23H28BrN3O.2C23H27Cl2N3O2.C22H26BrN3O/c1-5-11-29-21-14-18(25)7-8-20(21)27-23(29)15-28(12-10-16(2)3)24(30)17-6-9-22(31-4)19(26)13-17;1-4-13-27-21-11-6-5-10-20(21)25-22(27)16-26(14-12-17(2)3)23(28)18-8-7-9-19(24)15-18;1-3-5-8-15-26(23(28)18-10-9-11-19(24)16-18)17-22-25-20-12-6-7-13-21(20)27(22)14-4-2;1-5-10-28-20-12-17(24)7-8-19(20)26-22(28)14-27(13-15(2)3)23(29)16-6-9-21(30-4)18(25)11-16;1-5-10-28-20-12-17(25)6-8-19(20)26-22(28)14-27(13-15(2)3)23(29)18-11-16(24)7-9-21(18)30-4;1-4-13-26-20-8-6-5-7-19(20)24-21(26)15-25(14-16(2)3)22(27)17-9-11-18(23)12-10-17/h6-9,13-14,16H,5,10-12,15H2,1-4H3;5-11,15,17H,4,12-14,16H2,1-3H3;6-7,9-13,16H,3-5,8,14-15,17H2,1-2H3;2*6-9,11-12,15H,5,10,13-14H2,1-4H3;5-12,16H,4,13-15H2,1-3H3
InChIKeyFUADZPXZANAFNG-UHFFFAOYSA-N
MW2672.38 g/mol
LogP36.02
Rot. Bonds49

About 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide

3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 158141695) has the molecular formula C138H165Br3Cl6N18O9 and a molecular weight of 2672.38 g/mol. Its IUPAC name is 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide
PubChem CID158141695
Molecular FormulaC138H165Br3Cl6N18O9
Molecular Weight2672.38 g/mol
Exact Mass2664.87
IUPAC Name3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide
SMILESCCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(Cl)ccc2OC)nc2ccc(Cl)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Br)cc2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H29Cl2N3O2.2C23H28BrN3O.2C23H27Cl2N3O2.C22H26BrN3O/c1-5-11-29-21-14-18(25)7-8-20(21)27-23(29)15-28(12-10-16(2)3)24(30)17-6-9-22(31-4)19(26)13-17;1-4-13-27-21-11-6-5-10-20(21)25-22(27)16-26(14-12-17(2)3)23(28)18-8-7-9-19(24)15-18;1-3-5-8-15-26(23(28)18-10-9-11-19(24)16-18)17-22-25-20-12-6-7-13-21(20)27(22)14-4-2;1-5-10-28-20-12-17(24)7-8-19(20)26-22(28)14-27(13-15(2)3)23(29)16-6-9-21(30-4)18(25)11-16;1-5-10-28-20-12-17(25)6-8-19(20)26-22(28)14-27(13-15(2)3)23(29)18-11-16(24)7-9-21(18)30-4;1-4-13-26-20-8-6-5-7-19(20)24-21(26)15-25(14-16(2)3)22(27)17-9-11-18(23)12-10-17/h6-9,13-14,16H,5,10-12,15H2,1-4H3;5-11,15,17H,4,12-14,16H2,1-3H3;6-7,9-13,16H,3-5,8,14-15,17H2,1-2H3;2*6-9,11-12,15H,5,10,13-14H2,1-4H3;5-12,16H,4,13-15H2,1-3H3
InChIKeyFUADZPXZANAFNG-UHFFFAOYSA-N
XLogP36.02
TPSA256.47 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002672.38
LogP ≤ 536.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

5-chloro-N-ethyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxybenzamide;5-chloro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-propylbenzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methyl-5-(trifluoromethyl)benzamide;N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 157514037
3-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methoxyethyl)benzamide;3-bromo-N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;3-bromo-N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2-methoxy-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propyl-3-(trifluoromethyl)benzamide;2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methoxyethyl)benzamide
CID 159437567
3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159523762
3-bromo-N-butyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-2,5-dichloro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;5-chloro-2-methoxy-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3,4-dichloro-N-(2-methylpropyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-pentyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(1-phenylbenzimidazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 160755222
3-bromo-4-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-propylbenzamide
CID 161160214
3-bromo-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;3-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-bromo-N-propyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;5-chloro-N-(cyclopropylmethyl)-2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;2,5-dichloro-N-(cyclopropylmethyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;ethane
CID 157055488
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-bromo-N-(2-methylpropyl)benzamide;N-[(1-benzylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide;2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 157461878
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-pentylbenzamide;2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 157747050
N-butyl-3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluorobenzamide;N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)-1,3-benzodioxole-5-carboxamide
CID 157859777
N-[(1-butylbenzimidazol-2-yl)methyl]-3-chloro-4-methoxy-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-pentylbenzamide;N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dichloro-N-(2-methylpropyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide;N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 158410184
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;5-chloro-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-prop-2-enylbenzamide;N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-propylbenzamide
CID 158485752
3-bromo-N-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-butyl-3-chloro-4-methoxy-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-butyl-5-chloro-2-methoxy-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;5-chloro-2-methoxy-N-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 158656030

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide (CID 158141695) is 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide is CCCCCN(Cc1nc2ccccc2n1CCC)C(=O)c1cccc(Br)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(Cl)ccc2OC)nc2ccc(Cl)cc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Br)cc2)nc2ccccc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2ccc(Cl)cc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is FUADZPXZANAFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O2.2C23H28BrN3O.2C23H27Cl2N3O2.C22H26BrN3O/c1-5-11-29-21-14-18(25)7-8-20(21)27-23(29)15-28(12-10-16(2)3)24(30)17-6-9-22(31-4)19(26)13-17;1-4-13-27-21-11-6-5-10-20(21)25-22(27)16-26(14-12-17(2)3)23(28)18-8-7-9-19(24)15-18;1-3-5-8-15-26(23(28)18-10-9-11-19(24)16-18)17-22-25-20-12-6-7-13-21(20)27(22)14-4-2;1-5-10-28-20-12-17(24)7-8-19(20)26-22(28)14-27(13-15(2)3)23(29)16-6-9-21(30-4)18(25)11-16;1-5-10-28-20-12-17(25)6-8-19(20)26-22(28)14-27(13-15(2)3)23(29)18-11-16(24)7-9-21(18)30-4;1-4-13-26-20-8-6-5-7-19(20)24-21(26)15-25(14-16(2)3)22(27)17-9-11-18(23)12-10-17/h6-9,13-14,16H,5,10-12,15H2,1-4H3;5-11,15,17H,4,12-14,16H2,1-3H3;6-7,9-13,16H,3-5,8,14-15,17H2,1-2H3;2*6-9,11-12,15H,5,10,13-14H2,1-4H3;5-12,16H,4,13-15H2,1-3H3.
What are the key properties of 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide?
3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 2672.38 g/mol, XLogP of 36.02, 49 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methylbutyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;4-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-bromo-N-pentyl-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide;5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 158141695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).