methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate

C30H36N6O3 — CID 143848514

About methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 143848514) has the molecular formula C30H36N6O3 and a molecular weight of 528.66 g/mol. Its IUPAC name is methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 143848514
• Molecular Formula: C30H36N6O3
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.28
• IUPAC Name: methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate
• SMILES: CCCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C30H36N6O3/c1-6-7-26-31-16-24(34-26)22-12-8-20(9-13-22)21-10-14-23(15-11-21)25-17-32-28(35-25)27(18(2)3)36-29(37)19(4)33-30(38)39-5/h8-19,27H,6-7H2,1-5H3,(H,31,34)(H,32,35)(H,33,38)(H,36,37)
• InChIKey: LFWSAAUMZHORSG-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 124.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate (CID 143848514) is methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate is CCCc1ncc(-c2ccc(-c3ccc(-c4cnc(C(NC(=O)C(C)NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1.

What is the InChIKey of methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate?

The InChIKey is LFWSAAUMZHORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O3/c1-6-7-26-31-16-24(34-26)22-12-8-20(9-13-22)21-10-14-23(15-11-21)25-17-32-28(35-25)27(18(2)3)36-29(37)19(4)33-30(38)39-5/h8-19,27H,6-7H2,1-5H3,(H,31,34)(H,32,35)(H,33,38)(H,36,37).

What are the key properties of methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate?

methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 528.66 g/mol, XLogP of 5.64, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[[2-methyl-1-[5-[4-[4-(2-propyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 143848514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).