N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine

C163H172N34O2 — CID 159589093

About N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine

N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 159589093) has the molecular formula C163H172N34O2 and a molecular weight of 2639.40 g/mol. Its IUPAC name is N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
• PubChem CID: 159589093
• Molecular Formula: C163H172N34O2
• Molecular Weight: 2639.40 g/mol
• Exact Mass: 2637.44
• IUPAC Name: N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
• SMILES: COc1ncc(CC2CCc3[nH]cnc3[C@@H]2c2ccc(NC(C)=O)cc2)cn1.Cc1ccc(CNCCNCc2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2ccc(CNCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1ccc(-c2ccc(CNCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1cn(-c2ccc(CNCCNCc3ccc(-n4ccnc4)cc3)cc2)cn1.c1cnc(-c2ccc(CNCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1.c1cnn(-c2ccc(CNCCNCc3ccc(-n4cccn4)cc3)cc2)c1
• InChI: InChI=1S/2C26H26N4.C24H24N6.2C22H24N6.C22H25N3.C21H23N5O2/c2*1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26;1-11-27-23(28-12-1)21-7-3-19(4-8-21)17-25-15-16-26-18-20-5-9-22(10-6-20)24-29-13-2-14-30-24;1-11-25-27(15-1)21-7-3-19(4-8-21)17-23-13-14-24-18-20-5-9-22(10-6-20)28-16-2-12-26-28;1-5-21(27-13-11-25-17-27)6-2-19(1)15-23-9-10-24-16-20-3-7-22(8-4-20)28-14-12-26-18-28;1-18-5-7-19(8-6-18)16-23-14-15-24-17-20-9-11-21(12-10-20)22-4-2-3-13-25-22;1-13(27)26-17-6-3-15(4-7-17)19-16(5-8-18-20(19)25-12-24-18)9-14-10-22-21(28-2)23-11-14/h2*1-16,27-28H,17-20H2;1-14,25-26H,15-18H2;1-12,15-16,23-24H,13-14,17-18H2;1-8,11-14,17-18,23-24H,9-10,15-16H2;2-13,23-24H,14-17H2,1H3;3-4,6-7,10-12,16,19H,5,8-9H2,1-2H3,(H,24,25)(H,26,27)/t;;;;;;16?,19-/m......1/s1
• InChIKey: MJZUFJYJWWKLOM-HGAXJJKMSA-N
• XLogP: 25.77
• TPSA: 424.44 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 34
• Rotatable Bonds: 58
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2639.40
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?

The IUPAC name of N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine (CID 159589093) is N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine.

What is the SMILES notation for N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?

The canonical SMILES for N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine is COc1ncc(CC2CCc3[nH]cnc3[C@@H]2c2ccc(NC(C)=O)cc2)cn1.Cc1ccc(CNCCNCc2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2ccc(CNCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1ccc(-c2ccc(CNCCNCc3ccc(-c4ccccn4)cc3)cc2)nc1.c1cn(-c2ccc(CNCCNCc3ccc(-n4ccnc4)cc3)cc2)cn1.c1cnc(-c2ccc(CNCCNCc3ccc(-c4ncccn4)cc3)cc2)nc1.c1cnn(-c2ccc(CNCCNCc3ccc(-n4cccn4)cc3)cc2)c1.

What is the InChIKey of N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?

The InChIKey is MJZUFJYJWWKLOM-HGAXJJKMSA-N. The full InChI is InChI=1S/2C26H26N4.C24H24N6.2C22H24N6.C22H25N3.C21H23N5O2/c2*1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26;1-11-27-23(28-12-1)21-7-3-19(4-8-21)17-25-15-16-26-18-20-5-9-22(10-6-20)24-29-13-2-14-30-24;1-11-25-27(15-1)21-7-3-19(4-8-21)17-23-13-14-24-18-20-5-9-22(10-6-20)28-16-2-12-26-28;1-5-21(27-13-11-25-17-27)6-2-19(1)15-23-9-10-24-16-20-3-7-22(8-4-20)28-14-12-26-18-28;1-18-5-7-19(8-6-18)16-23-14-15-24-17-20-9-11-21(12-10-20)22-4-2-3-13-25-22;1-13(27)26-17-6-3-15(4-7-17)19-16(5-8-18-20(19)25-12-24-18)9-14-10-22-21(28-2)23-11-14/h2*1-16,27-28H,17-20H2;1-14,25-26H,15-18H2;1-12,15-16,23-24H,13-14,17-18H2;1-8,11-14,17-18,23-24H,9-10,15-16H2;2-13,23-24H,14-17H2,1H3;3-4,6-7,10-12,16,19H,5,8-9H2,1-2H3,(H,24,25)(H,26,27)/t;;;;;;16?,19-/m......1/s1.

What are the key properties of N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine?

N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 2639.40 g/mol, XLogP of 25.77, 58 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis[(4-imidazol-1-ylphenyl)methyl]ethane-1,2-diamine;N,N'-bis[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine;bis(N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine);N,N'-bis[(4-pyrimidin-2-ylphenyl)methyl]ethane-1,2-diamine;N-[4-[(4S)-5-[(2-methoxypyrimidin-5-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-4-yl]phenyl]acetamide;N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 159589093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).