benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

C150H192N28O9S — CID 162054006

IUPACbenzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)CN(CCCCN(Cc1ccc(C(=O)NN(Cc2ncc[nH]2)c2ccccc2)cc1)Cc1ccccn1)CC(C)C.CC(C)CN(CCCCN(Cc1ccc(C(=O)NNc2ccccc2)cc1)Cc1ccccn1)CC(C)C.CC(C)CN(CCCCN(NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)c1ccccc1)CC(C)C.O=C(OCc1ccccc1)N1CCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.O=C(c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1)N1CCCN1
InChIInChI=1S/C36H49N7O.C32H45N5O.C30H44N6O.C29H30N6O3.C23H24N4O3S/c1-29(2)24-41(25-30(3)4)22-10-11-23-42(27-33-12-8-9-19-37-33)26-31-15-17-32(18-16-31)36(44)40-43(28-35-38-20-21-39-35)34-13-6-5-7-14-34;1-26(2)22-36(23-27(3)4)20-10-11-21-37(25-31-14-8-9-19-33-31)24-28-15-17-29(18-16-28)32(38)35-34-30-12-6-5-7-13-30;1-24(2)22-35(23-25(3)4)18-8-9-19-36(28-10-6-5-7-11-28)34-30(37)27-14-12-26(13-15-27)20-31-21-29-32-16-17-33-29;36-28(34-17-6-18-35(34)29(37)38-22-24-7-2-1-3-8-24)25-12-10-23(11-13-25)19-33(21-27-31-15-16-32-27)20-26-9-4-5-14-30-26;28-23(27-16-6-15-25-27)20-12-10-19(11-13-20)17-26(18-21-7-4-5-14-24-21)31(29,30)22-8-2-1-3-9-22/h5-9,12-21,29-30H,10-11,22-28H2,1-4H3,(H,38,39)(H,40,44);5-9,12-19,26-27,34H,10-11,20-25H2,1-4H3,(H,35,38);5-7,10-17,24-25,31H,8-9,18-23H2,1-4H3,(H,32,33)(H,34,37);1-5,7-16H,6,17-22H2,(H,31,32);1-5,7-14,25H,6,15-18H2
InChIKeyYYXWAZSYHZKXNJ-UHFFFAOYSA-N
MW2563.44 g/mol
LogP25.26
Rot. Bonds66

About benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 162054006) has the molecular formula C150H192N28O9S and a molecular weight of 2563.44 g/mol. Its IUPAC name is benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Namebenzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID162054006
Molecular FormulaC150H192N28O9S
Molecular Weight2563.44 g/mol
Exact Mass2561.51
IUPAC Namebenzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCC(C)CN(CCCCN(Cc1ccc(C(=O)NN(Cc2ncc[nH]2)c2ccccc2)cc1)Cc1ccccn1)CC(C)C.CC(C)CN(CCCCN(Cc1ccc(C(=O)NNc2ccccc2)cc1)Cc1ccccn1)CC(C)C.CC(C)CN(CCCCN(NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)c1ccccc1)CC(C)C.O=C(OCc1ccccc1)N1CCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.O=C(c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1)N1CCCN1
InChIInChI=1S/C36H49N7O.C32H45N5O.C30H44N6O.C29H30N6O3.C23H24N4O3S/c1-29(2)24-41(25-30(3)4)22-10-11-23-42(27-33-12-8-9-19-37-33)26-31-15-17-32(18-16-31)36(44)40-43(28-35-38-20-21-39-35)34-13-6-5-7-14-34;1-26(2)22-36(23-27(3)4)20-10-11-21-37(25-31-14-8-9-19-33-31)24-28-15-17-29(18-16-28)32(38)35-34-30-12-6-5-7-13-30;1-24(2)22-35(23-25(3)4)18-8-9-19-36(28-10-6-5-7-11-28)34-30(37)27-14-12-26(13-15-27)20-31-21-29-32-16-17-33-29;36-28(34-17-6-18-35(34)29(37)38-22-24-7-2-1-3-8-24)25-12-10-23(11-13-25)19-33(21-27-31-15-16-32-27)20-26-9-4-5-14-30-26;28-23(27-16-6-15-25-27)20-12-10-19(11-13-20)17-26(18-21-7-4-5-14-24-21)31(29,30)22-8-2-1-3-9-22/h5-9,12-21,29-30H,10-11,22-28H2,1-4H3,(H,38,39)(H,40,44);5-9,12-19,26-27,34H,10-11,20-25H2,1-4H3,(H,35,38);5-7,10-17,24-25,31H,8-9,18-23H2,1-4H3,(H,32,33)(H,34,37);1-5,7-16H,6,17-22H2,(H,31,32);1-5,7-14,25H,6,15-18H2
InChIKeyYYXWAZSYHZKXNJ-UHFFFAOYSA-N
XLogP25.26
TPSA394.45 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds66
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002563.44
LogP ≤ 525.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 162054006) is benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is CC(C)CN(CCCCN(Cc1ccc(C(=O)NN(Cc2ncc[nH]2)c2ccccc2)cc1)Cc1ccccn1)CC(C)C.CC(C)CN(CCCCN(Cc1ccc(C(=O)NNc2ccccc2)cc1)Cc1ccccn1)CC(C)C.CC(C)CN(CCCCN(NC(=O)c1ccc(CNCc2ncc[nH]2)cc1)c1ccccc1)CC(C)C.O=C(OCc1ccccc1)N1CCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.O=C(c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1)N1CCCN1.
What is the InChIKey of benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is YYXWAZSYHZKXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49N7O.C32H45N5O.C30H44N6O.C29H30N6O3.C23H24N4O3S/c1-29(2)24-41(25-30(3)4)22-10-11-23-42(27-33-12-8-9-19-37-33)26-31-15-17-32(18-16-31)36(44)40-43(28-35-38-20-21-39-35)34-13-6-5-7-14-34;1-26(2)22-36(23-27(3)4)20-10-11-21-37(25-31-14-8-9-19-33-31)24-28-15-17-29(18-16-28)32(38)35-34-30-12-6-5-7-13-30;1-24(2)22-35(23-25(3)4)18-8-9-19-36(28-10-6-5-7-11-28)34-30(37)27-14-12-26(13-15-27)20-31-21-29-32-16-17-33-29;36-28(34-17-6-18-35(34)29(37)38-22-24-7-2-1-3-8-24)25-12-10-23(11-13-25)19-33(21-27-31-15-16-32-27)20-26-9-4-5-14-30-26;28-23(27-16-6-15-25-27)20-12-10-19(11-13-20)17-26(18-21-7-4-5-14-24-21)31(29,30)22-8-2-1-3-9-22/h5-9,12-21,29-30H,10-11,22-28H2,1-4H3,(H,38,39)(H,40,44);5-9,12-19,26-27,34H,10-11,20-25H2,1-4H3,(H,35,38);5-7,10-17,24-25,31H,8-9,18-23H2,1-4H3,(H,32,33)(H,34,37);1-5,7-16H,6,17-22H2,(H,31,32);1-5,7-14,25H,6,15-18H2.
What are the key properties of benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide?
benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 2563.44 g/mol, XLogP of 25.26, 66 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidine-1-carboxylate;N'-[4-[bis(2-methylpropyl)amino]butyl]-4-[(1H-imidazol-2-ylmethylamino)methyl]-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide;4-[[4-[bis(2-methylpropyl)amino]butyl-(pyridin-2-ylmethyl)amino]methyl]-N'-phenylbenzohydrazide;N-[[4-(pyrazolidine-1-carbonyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 162054006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).