5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide

C148H156Cl2F13N21O11 — CID 158849552

IUPAC5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESC=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccccc1F.CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2OC)nc2cc(F)ccc21
InChIInChI=1S/C22H23ClFN3O2.C22H24FN3O3.C21H22F3N3O.C21H20F3N3O.2C21H23F2N3O.C20H21ClFN3O2/c1-4-10-26(22(28)17-12-15(23)6-9-20(17)29-3)14-21-25-18-13-16(24)7-8-19(18)27(21)11-5-2;1-3-9-25(22(27)15-5-8-19-20(11-15)29-14-28-19)13-21-24-17-12-16(23)6-7-18(17)26(21)10-4-2;2*1-3-9-26(21(28)16-11-14(22)5-7-17(16)24)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-13-17(23)8-9-19(18)26(20)11-4-2;1-3-11-25(21(27)16-7-5-6-8-17(16)23)14-20-24-18-13-15(22)9-10-19(18)26(20)12-4-2;1-4-9-25-17-7-6-14(22)11-16(17)23-19(25)12-24(2)20(26)15-10-13(21)5-8-18(15)27-3/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-8,11-12H,3-4,9-10,13-14H2,1-2H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-8,11-12H,1,4,9-10,13H2,2H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;5-10,13H,3-4,11-12,14H2,1-2H3;5-8,10-11H,4,9,12H2,1-3H3
InChIKeyIZGSAJPRIWUBMD-UHFFFAOYSA-N
MW2722.89 g/mol
LogP33.12
Rot. Bonds49

About 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide

5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 158849552) has the molecular formula C148H156Cl2F13N21O11 and a molecular weight of 2722.89 g/mol. Its IUPAC name is 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
PubChem CID158849552
Molecular FormulaC148H156Cl2F13N21O11
Molecular Weight2722.89 g/mol
Exact Mass2720.15
IUPAC Name5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESC=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccccc1F.CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2OC)nc2cc(F)ccc21
InChIInChI=1S/C22H23ClFN3O2.C22H24FN3O3.C21H22F3N3O.C21H20F3N3O.2C21H23F2N3O.C20H21ClFN3O2/c1-4-10-26(22(28)17-12-15(23)6-9-20(17)29-3)14-21-25-18-13-16(24)7-8-19(18)27(21)11-5-2;1-3-9-25(22(27)15-5-8-19-20(11-15)29-14-28-19)13-21-24-17-12-16(23)6-7-18(17)26(21)10-4-2;2*1-3-9-26(21(28)16-11-14(22)5-7-17(16)24)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-13-17(23)8-9-19(18)26(20)11-4-2;1-3-11-25(21(27)16-7-5-6-8-17(16)23)14-20-24-18-13-15(22)9-10-19(18)26(20)12-4-2;1-4-9-25-17-7-6-14(22)11-16(17)23-19(25)12-24(2)20(26)15-10-13(21)5-8-18(15)27-3/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-8,11-12H,3-4,9-10,13-14H2,1-2H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-8,11-12H,1,4,9-10,13H2,2H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;5-10,13H,3-4,11-12,14H2,1-2H3;5-8,10-11H,4,9,12H2,1-3H3
InChIKeyIZGSAJPRIWUBMD-UHFFFAOYSA-N
XLogP33.12
TPSA303.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds49
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002722.89
LogP ≤ 533.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (CID 158849552) is 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide is C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(Cl)ccc1OC.C=CCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cc(F)ccc1F.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1cccc(F)c1.CCCN(Cc1nc2cc(F)ccc2n1CCC)C(=O)c1ccccc1F.CCCn1c(CN(C)C(=O)c2cc(Cl)ccc2OC)nc2cc(F)ccc21.
What is the InChIKey of 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is IZGSAJPRIWUBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2.C22H24FN3O3.C21H22F3N3O.C21H20F3N3O.2C21H23F2N3O.C20H21ClFN3O2/c1-4-10-26(22(28)17-12-15(23)6-9-20(17)29-3)14-21-25-18-13-16(24)7-8-19(18)27(21)11-5-2;1-3-9-25(22(27)15-5-8-19-20(11-15)29-14-28-19)13-21-24-17-12-16(23)6-7-18(17)26(21)10-4-2;2*1-3-9-26(21(28)16-11-14(22)5-7-17(16)24)13-20-25-18-12-15(23)6-8-19(18)27(20)10-4-2;1-3-10-25(21(27)15-6-5-7-16(22)12-15)14-20-24-18-13-17(23)8-9-19(18)26(20)11-4-2;1-3-11-25(21(27)16-7-5-6-8-17(16)23)14-20-24-18-13-15(22)9-10-19(18)26(20)12-4-2;1-4-9-25-17-7-6-14(22)11-16(17)23-19(25)12-24(2)20(26)15-10-13(21)5-8-18(15)27-3/h4,6-9,12-13H,1,5,10-11,14H2,2-3H3;5-8,11-12H,3-4,9-10,13-14H2,1-2H3;5-8,11-12H,3-4,9-10,13H2,1-2H3;3,5-8,11-12H,1,4,9-10,13H2,2H3;5-9,12-13H,3-4,10-11,14H2,1-2H3;5-10,13H,3-4,11-12,14H2,1-2H3;5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 2722.89 g/mol, XLogP of 33.12, 49 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-methylbenzamide;5-chloro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-prop-2-enylbenzamide;2,5-difluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;2-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 158849552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).