2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C108H109Cl6F5N20O5S — CID 158845544

About 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158845544) has the molecular formula C108H109Cl6F5N20O5S and a molecular weight of 2106.97 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158845544
• Molecular Formula: C108H109Cl6F5N20O5S
• Molecular Weight: 2106.97 g/mol
• Exact Mass: 2102.67
• IUPAC Name: 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Cl)c2Cl)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2c(F)ccc(F)c2F)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2ccsc2)nc2cccnc21
• InChI: InChI=1S/C24H20F4N4O.C22H26Cl2N4O.C22H21FN4OS.C20H22Cl2N4O.C20H20Cl2N4O/c1-2-12-32-20(30-19-4-3-11-29-23(19)32)14-31(13-15-5-7-16(25)8-6-15)24(33)21-17(26)9-10-18(27)22(21)28;1-4-12-28-19(26-18-9-6-11-25-21(18)28)14-27(13-10-15(2)3)22(29)16-7-5-8-17(23)20(16)24;1-2-11-27-20(25-19-4-3-10-24-21(19)27)14-26(22(28)17-9-12-29-15-17)13-16-5-7-18(23)8-6-16;2*1-3-10-25(20(27)15-12-14(21)7-8-16(15)22)13-18-24-17-6-5-9-23-19(17)26(18)11-4-2/h3-11H,2,12-14H2,1H3;5-9,11,15H,4,10,12-14H2,1-3H3;3-10,12,15H,2,11,13-14H2,1H3;5-9,12H,3-4,10-11,13H2,1-2H3;3,5-9,12H,1,4,10-11,13H2,2H3
• InChIKey: IYTZLCFJYZYDRD-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 255.10 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.97
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158845544) is 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1Cl.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Cl)c2Cl)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2c(F)ccc(F)c2F)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2ccsc2)nc2cccnc21.

What is the InChIKey of 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is IYTZLCFJYZYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O.C22H26Cl2N4O.C22H21FN4OS.C20H22Cl2N4O.C20H20Cl2N4O/c1-2-12-32-20(30-19-4-3-11-29-23(19)32)14-31(13-15-5-7-16(25)8-6-15)24(33)21-17(26)9-10-18(27)22(21)28;1-4-12-28-19(26-18-9-6-11-25-21(18)28)14-27(13-10-15(2)3)22(29)16-7-5-8-17(23)20(16)24;1-2-11-27-20(25-19-4-3-10-24-21(19)27)14-26(22(28)17-9-12-29-15-17)13-16-5-7-18(23)8-6-16;2*1-3-10-25(20(27)15-12-14(21)7-8-16(15)22)13-18-24-17-6-5-9-23-19(17)26(18)11-4-2/h3-11H,2,12-14H2,1H3;5-9,11,15H,4,10,12-14H2,1-3H3;3-10,12,15H,2,11,13-14H2,1H3;5-9,12H,3-4,10-11,13H2,1-2H3;3,5-9,12H,1,4,10-11,13H2,2H3.

What are the key properties of 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2106.97 g/mol, XLogP of 26.14, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2,5-dichloro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide;2,3,6-trifluoro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158845544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).