[5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate

C35H35N7O6 — CID 91511254

About [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate

[5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate (PubChem CID 91511254) has the molecular formula C35H35N7O6 and a molecular weight of 649.71 g/mol. Its IUPAC name is [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate.

Molecular Properties

• Compound Name: [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate
• PubChem CID: 91511254
• Molecular Formula: C35H35N7O6
• Molecular Weight: 649.71 g/mol
• Exact Mass: 649.26
• IUPAC Name: [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate
• SMILES: COc1ccc(-c2ccc(-c3cnc(OC(N)=O)[nH]3)cc2)cc1-c1cnc(C2(C)CCCN2C(=O)[C@](C)(OC(N)=O)c2ccccc2)[nH]1
• InChI: InChI=1S/C35H35N7O6/c1-34(16-7-17-42(34)30(43)35(2,48-32(37)45)24-8-5-4-6-9-24)29-38-20-27(40-29)25-18-23(14-15-28(25)46-3)21-10-12-22(13-11-21)26-19-39-33(41-26)47-31(36)44/h4-6,8-15,18-20H,7,16-17H2,1-3H3,(H2,36,44)(H2,37,45)(H,38,40)(H,39,41)/t34?,35-/m1/s1
• InChIKey: AFASEBAUBXEYGZ-ICBMVRCQSA-N
• XLogP: 5.45
• TPSA: 191.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.71
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate?

The IUPAC name of [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate (CID 91511254) is [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate.

What is the SMILES notation for [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate?

The canonical SMILES for [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate is COc1ccc(-c2ccc(-c3cnc(OC(N)=O)[nH]3)cc2)cc1-c1cnc(C2(C)CCCN2C(=O)[C@](C)(OC(N)=O)c2ccccc2)[nH]1.

What is the InChIKey of [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate?

The InChIKey is AFASEBAUBXEYGZ-ICBMVRCQSA-N. The full InChI is InChI=1S/C35H35N7O6/c1-34(16-7-17-42(34)30(43)35(2,48-32(37)45)24-8-5-4-6-9-24)29-38-20-27(40-29)25-18-23(14-15-28(25)46-3)21-10-12-22(13-11-21)26-19-39-33(41-26)47-31(36)44/h4-6,8-15,18-20H,7,16-17H2,1-3H3,(H2,36,44)(H2,37,45)(H,38,40)(H,39,41)/t34?,35-/m1/s1.

What are the key properties of [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate?

[5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate has a molecular weight of 649.71 g/mol, XLogP of 5.45, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylpropanoyl]-2-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-4-methoxyphenyl]phenyl]-1H-imidazol-2-yl] carbamate is sourced from PubChem (CID 91511254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).