methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate

C38H41Cl2N7O4 — CID 123759441

About methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate

methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate (PubChem CID 123759441) has the molecular formula C38H41Cl2N7O4 and a molecular weight of 730.70 g/mol. Its IUPAC name is methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
• PubChem CID: 123759441
• Molecular Formula: C38H41Cl2N7O4
• Molecular Weight: 730.70 g/mol
• Exact Mass: 729.26
• IUPAC Name: methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
• SMILES: COC(=O)NC(C(=O)N1C(c2nc(-c3ccc(-c4ccc(-c5nc(C6CC7CC7N6)[nH]c5Cl)cc4)cc3)c(Cl)[nH]2)CC2C(C)C21)C1CCOCC1
• InChI: InChI=1S/C38H41Cl2N7O4/c1-18-25-17-28(47(32(18)25)37(48)31(44-38(49)50-2)23-11-13-51-14-12-23)36-43-30(34(40)46-36)22-9-5-20(6-10-22)19-3-7-21(8-4-19)29-33(39)45-35(42-29)27-16-24-15-26(24)41-27/h3-10,18,23-28,31-32,41H,11-17H2,1-2H3,(H,42,45)(H,43,46)(H,44,49)
• InChIKey: GHRAYPPLPZYDKD-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 137.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.70
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?

The IUPAC name of methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate (CID 123759441) is methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate.

What is the SMILES notation for methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?

The canonical SMILES for methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate is COC(=O)NC(C(=O)N1C(c2nc(-c3ccc(-c4ccc(-c5nc(C6CC7CC7N6)[nH]c5Cl)cc4)cc3)c(Cl)[nH]2)CC2C(C)C21)C1CCOCC1.

What is the InChIKey of methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?

The InChIKey is GHRAYPPLPZYDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41Cl2N7O4/c1-18-25-17-28(47(32(18)25)37(48)31(44-38(49)50-2)23-11-13-51-14-12-23)36-43-30(34(40)46-36)22-9-5-20(6-10-22)19-3-7-21(8-4-19)29-33(39)45-35(42-29)27-16-24-15-26(24)41-27/h3-10,18,23-28,31-32,41H,11-17H2,1-2H3,(H,42,45)(H,43,46)(H,44,49).

What are the key properties of methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate?

methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate has a molecular weight of 730.70 g/mol, XLogP of 6.92, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[3-[4-[4-[4-[2-(2-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-1H-imidazol-4-yl]phenyl]phenyl]-5-chloro-1H-imidazol-2-yl]-6-methyl-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 123759441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).