[5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate

C41H46N10O6 — CID 175353068

About [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate

[5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate (PubChem CID 175353068) has the molecular formula C41H46N10O6 and a molecular weight of 774.88 g/mol. Its IUPAC name is [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate.

Molecular Properties

• Compound Name: [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate
• PubChem CID: 175353068
• Molecular Formula: C41H46N10O6
• Molecular Weight: 774.88 g/mol
• Exact Mass: 774.36
• IUPAC Name: [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate
• SMILES: COc1cc(C)c(CC(NC(=O)C(CCCn2ccnc2N)OC(N)=O)C(=O)NC(Cc2cnc[nH]2)c2nc(Cc3ccc(-c4ccccc4)cc3)no2)c(C)c1
• InChI: InChI=1S/C41H46N10O6/c1-25-18-31(55-3)19-26(2)32(25)22-33(47-38(53)35(56-41(43)54)10-7-16-51-17-15-45-40(51)42)37(52)48-34(21-30-23-44-24-46-30)39-49-36(50-57-39)20-27-11-13-29(14-12-27)28-8-5-4-6-9-28/h4-6,8-9,11-15,17-19,23-24,33-35H,7,10,16,20-22H2,1-3H3,(H2,42,45)(H2,43,54)(H,44,46)(H,47,53)(H,48,52)
• InChIKey: DCCAYUQPUQSVNP-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 231.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.88
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate?

The IUPAC name of [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate (CID 175353068) is [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate.

What is the SMILES notation for [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate?

The canonical SMILES for [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate is COc1cc(C)c(CC(NC(=O)C(CCCn2ccnc2N)OC(N)=O)C(=O)NC(Cc2cnc[nH]2)c2nc(Cc3ccc(-c4ccccc4)cc3)no2)c(C)c1.

What is the InChIKey of [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate?

The InChIKey is DCCAYUQPUQSVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N10O6/c1-25-18-31(55-3)19-26(2)32(25)22-33(47-38(53)35(56-41(43)54)10-7-16-51-17-15-45-40(51)42)37(52)48-34(21-30-23-44-24-46-30)39-49-36(50-57-39)20-27-11-13-29(14-12-27)28-8-5-4-6-9-28/h4-6,8-9,11-15,17-19,23-24,33-35H,7,10,16,20-22H2,1-3H3,(H2,42,45)(H2,43,54)(H,44,46)(H,47,53)(H,48,52).

What are the key properties of [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate?

[5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate has a molecular weight of 774.88 g/mol, XLogP of 4.53, 18 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-aminoimidazol-1-yl)-1-[[1-[[2-(1H-imidazol-5-yl)-1-[3-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]amino]-3-(4-methoxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 175353068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).