methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C35H41N7O4 — CID 76526926

About methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 76526926) has the molecular formula C35H41N7O4 and a molecular weight of 623.76 g/mol. Its IUPAC name is methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 76526926
• Molecular Formula: C35H41N7O4
• Molecular Weight: 623.76 g/mol
• Exact Mass: 623.32
• IUPAC Name: methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(NC(=O)C5CCCC5)[nH]4)cc3)cc2)[nH]1)C(C)C
• InChI: InChI=1S/C35H41N7O4/c1-21(2)30(40-35(45)46-3)33(44)42-18-6-9-29(42)31-36-19-27(38-31)24-14-10-22(11-15-24)23-12-16-25(17-13-23)28-20-37-34(39-28)41-32(43)26-7-4-5-8-26/h10-17,19-21,26,29-30H,4-9,18H2,1-3H3,(H,36,38)(H,40,45)(H2,37,39,41,43)
• InChIKey: XZSUNCTVEXCTAJ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 145.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.76
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 76526926) is methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(NC(=O)C5CCCC5)[nH]4)cc3)cc2)[nH]1)C(C)C.

What is the InChIKey of methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is XZSUNCTVEXCTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O4/c1-21(2)30(40-35(45)46-3)33(44)42-18-6-9-29(42)31-36-19-27(38-31)24-14-10-22(11-15-24)23-12-16-25(17-13-23)28-20-37-34(39-28)41-32(43)26-7-4-5-8-26/h10-17,19-21,26,29-30H,4-9,18H2,1-3H3,(H,36,38)(H,40,45)(H2,37,39,41,43).

What are the key properties of methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 623.76 g/mol, XLogP of 6.31, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[5-[4-[4-[2-(cyclopentanecarbonylamino)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 76526926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).