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

C149H159BrCl5F8I2N21O9 — CID 161160214

IUPAC3-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
SMILESC=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(I)c1.C=CCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(C)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2cc(F)ccc21
InChIInChI=1S/C22H25Cl2N3O2.C22H23Cl2N3O2.C22H23ClF3N3O.C22H26FN3O.C21H22BrF2N3O.C21H21FIN3O.C19H19FIN3O/c2*1-4-10-26(22(28)17-12-15(23)7-9-20(17)29-3)14-21-25-18-8-6-16(24)13-19(18)27(21)11-5-2;1-3-10-28(21(30)15-6-5-7-16(12-15)22(24,25)26)14-20-27-18-9-8-17(23)13-19(18)29(20)11-4-2;1-4-11-25(22(27)17-8-6-7-16(3)13-17)15-21-24-19-14-18(23)9-10-20(19)26(21)12-5-2;1-3-9-26(21(28)14-5-7-17(24)16(22)11-14)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-17(23)12-15)14-20-24-18-13-16(22)8-9-19(18)26(20)11-4-2;1-3-9-24-17-8-7-14(20)11-16(17)22-18(24)12-23(2)19(25)13-5-4-6-15(21)10-13/h6-9,12-13H,4-5,10-11,14H2,1-3H3;4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;6-10,13-14H,4-5,11-12,15H2,1-3H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-9,12-13H,1,4,10-11,14H2,2H3;4-8,10-11H,3,9,12H2,1-2H3
InChIKeyUPVADKNODIIDKY-UHFFFAOYSA-N
MW3051.01 g/mol
LogP37.54
Rot. Bonds49

About 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

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 (PubChem CID 161160214) has the molecular formula C149H159BrCl5F8I2N21O9 and a molecular weight of 3051.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID161160214
Molecular FormulaC149H159BrCl5F8I2N21O9
Molecular Weight3051.01 g/mol
Exact Mass3045.82
IUPAC Name3-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
SMILESC=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(I)c1.C=CCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(C)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2cc(F)ccc21
InChIInChI=1S/C22H25Cl2N3O2.C22H23Cl2N3O2.C22H23ClF3N3O.C22H26FN3O.C21H22BrF2N3O.C21H21FIN3O.C19H19FIN3O/c2*1-4-10-26(22(28)17-12-15(23)7-9-20(17)29-3)14-21-25-18-8-6-16(24)13-19(18)27(21)11-5-2;1-3-10-28(21(30)15-6-5-7-16(12-15)22(24,25)26)14-20-27-18-9-8-17(23)13-19(18)29(20)11-4-2;1-4-11-25(22(27)17-8-6-7-16(3)13-17)15-21-24-19-14-18(23)9-10-20(19)26(21)12-5-2;1-3-9-26(21(28)14-5-7-17(24)16(22)11-14)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-17(23)12-15)14-20-24-18-13-16(22)8-9-19(18)26(20)11-4-2;1-3-9-24-17-8-7-14(20)11-16(17)22-18(24)12-23(2)19(25)13-5-4-6-15(21)10-13/h6-9,12-13H,4-5,10-11,14H2,1-3H3;4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;6-10,13-14H,4-5,11-12,15H2,1-3H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-9,12-13H,1,4,10-11,14H2,2H3;4-8,10-11H,3,9,12H2,1-2H3
InChIKeyUPVADKNODIIDKY-UHFFFAOYSA-N
XLogP37.54
TPSA285.37 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds49
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003051.01
LogP ≤ 537.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(I)c1.C=CCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc(F)c(Br)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(C)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2cc(F)ccc21.
What is the InChIKey of 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?
The InChIKey is UPVADKNODIIDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2.C22H23Cl2N3O2.C22H23ClF3N3O.C22H26FN3O.C21H22BrF2N3O.C21H21FIN3O.C19H19FIN3O/c2*1-4-10-26(22(28)17-12-15(23)7-9-20(17)29-3)14-21-25-18-8-6-16(24)13-19(18)27(21)11-5-2;1-3-10-28(21(30)15-6-5-7-16(12-15)22(24,25)26)14-20-27-18-9-8-17(23)13-19(18)29(20)11-4-2;1-4-11-25(22(27)17-8-6-7-16(3)13-17)15-21-24-19-14-18(23)9-10-20(19)26(21)12-5-2;1-3-9-26(21(28)14-5-7-17(24)16(22)11-14)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-17(23)12-15)14-20-24-18-13-16(22)8-9-19(18)26(20)11-4-2;1-3-9-24-17-8-7-14(20)11-16(17)22-18(24)12-23(2)19(25)13-5-4-6-15(21)10-13/h6-9,12-13H,4-5,10-11,14H2,1-3H3;4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;6-10,13-14H,4-5,11-12,15H2,1-3H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-9,12-13H,1,4,10-11,14H2,2H3;4-8,10-11H,3,9,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3051.01 g/mol, XLogP of 37.54, 49 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161160214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).