(2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen

C45H57N9O2 — CID 143630491

About (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen

(2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen (PubChem CID 143630491) has the molecular formula C45H57N9O2 and a molecular weight of 756.01 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen
• PubChem CID: 143630491
• Molecular Formula: C45H57N9O2
• Molecular Weight: 756.01 g/mol
• Exact Mass: 755.46
• IUPAC Name: (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen
• SMILES: CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cn3)cc2)[nH]1)C(=O)[C@@H](c1ccccc1)N(C)C.[H][H].[H][H]
• InChI: InChI=1S/C45H53N9O2.2H2/c1-7-25-53(44(55)42(51(3)4)34-15-11-9-12-16-34)30-40-47-28-38(49-40)33-21-19-32(20-22-33)37-24-23-36(27-46-37)39-29-48-41(50-39)31-54(26-8-2)45(56)43(52(5)6)35-17-13-10-14-18-35;;/h9-24,27-29,42-43H,7-8,25-26,30-31H2,1-6H3,(H,47,49)(H,48,50);2*1H/t42-,43-;;/m1../s1
• InChIKey: LESPCWLGTDPHLL-KAAJXINLSA-N
• XLogP: 8.10
• TPSA: 117.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.01
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen?

The IUPAC name of (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen (CID 143630491) is (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen.

What is the SMILES notation for (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen?

The canonical SMILES for (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen is CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cn3)cc2)[nH]1)C(=O)[C@@H](c1ccccc1)N(C)C.[H][H].[H][H].

What is the InChIKey of (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen?

The InChIKey is LESPCWLGTDPHLL-KAAJXINLSA-N. The full InChI is InChI=1S/C45H53N9O2.2H2/c1-7-25-53(44(55)42(51(3)4)34-15-11-9-12-16-34)30-40-47-28-38(49-40)33-21-19-32(20-22-33)37-24-23-36(27-46-37)39-29-48-41(50-39)31-54(26-8-2)45(56)43(52(5)6)35-17-13-10-14-18-35;;/h9-24,27-29,42-43H,7-8,25-26,30-31H2,1-6H3,(H,47,49)(H,48,50);2*1H/t42-,43-;;/m1../s1.

What are the key properties of (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen?

(2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen has a molecular weight of 756.01 g/mol, XLogP of 8.10, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen is sourced from PubChem (CID 143630491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).