(2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde

C43H54N10O2 — CID 143630763

About (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde

(2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde (PubChem CID 143630763) has the molecular formula C43H54N10O2 and a molecular weight of 742.97 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde
• PubChem CID: 143630763
• Molecular Formula: C43H54N10O2
• Molecular Weight: 742.97 g/mol
• Exact Mass: 742.44
• IUPAC Name: (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde
• SMILES: CN(C)[C@@H](C=O)c1ccccc1.C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1ncc(-c2ccc(/C(N)=C/C=C(\N)c3cnc([C@@H]4CCCN4C)[nH]3)cc2)[nH]1
• InChI: InChI=1S/C33H41N9O.C10H13NO/c1-21(38-33(43)30(41(2)3)24-9-6-5-7-10-24)31-36-19-27(39-31)23-14-12-22(13-15-23)25(34)16-17-26(35)28-20-37-32(40-28)29-11-8-18-42(29)4;1-11(2)10(8-12)9-6-4-3-5-7-9/h5-7,9-10,12-17,19-21,29-30H,8,11,18,34-35H2,1-4H3,(H,36,39)(H,37,40)(H,38,43);3-8,10H,1-2H3/b25-16-,26-17-;/t21-,29-,30+;10-/m00/s1
• InChIKey: KWZSWNSGIMEBDY-CSZZWRQFSA-N
• XLogP: 5.83
• TPSA: 165.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.97
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde?

The IUPAC name of (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde (CID 143630763) is (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde.

What is the SMILES notation for (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde?

The canonical SMILES for (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde is CN(C)[C@@H](C=O)c1ccccc1.C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)c1ncc(-c2ccc(/C(N)=C/C=C(\N)c3cnc([C@@H]4CCCN4C)[nH]3)cc2)[nH]1.

What is the InChIKey of (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde?

The InChIKey is KWZSWNSGIMEBDY-CSZZWRQFSA-N. The full InChI is InChI=1S/C33H41N9O.C10H13NO/c1-21(38-33(43)30(41(2)3)24-9-6-5-7-10-24)31-36-19-27(39-31)23-14-12-22(13-15-23)25(34)16-17-26(35)28-20-37-32(40-28)29-11-8-18-42(29)4;1-11(2)10(8-12)9-6-4-3-5-7-9/h5-7,9-10,12-17,19-21,29-30H,8,11,18,34-35H2,1-4H3,(H,36,39)(H,37,40)(H,38,43);3-8,10H,1-2H3/b25-16-,26-17-;/t21-,29-,30+;10-/m00/s1.

What are the key properties of (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde?

(2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde has a molecular weight of 742.97 g/mol, XLogP of 5.83, 13 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-[5-[4-[(1Z,3Z)-1,4-diamino-4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-dienyl]phenyl]-1H-imidazol-2-yl]ethyl]-2-(dimethylamino)-2-phenylacetamide;(2R)-2-(dimethylamino)-2-phenylacetaldehyde is sourced from PubChem (CID 143630763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).