tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate

C30H35N3O2 — CID 123798780

About tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 123798780) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate
• PubChem CID: 123798780
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate
• SMILES: Cc1cccc(-c2ccc3cc(C4=NC(C)(C5CCCN5C(=O)OC(C)(C)C)NC4)ccc3c2)c1
• InChI: InChI=1S/C30H35N3O2/c1-20-8-6-9-21(16-20)22-11-12-24-18-25(14-13-23(24)17-22)26-19-31-30(5,32-26)27-10-7-15-33(27)28(34)35-29(2,3)4/h6,8-9,11-14,16-18,27,31H,7,10,15,19H2,1-5H3
• InChIKey: LSRJYUXBXGYXQG-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate (CID 123798780) is tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate is Cc1cccc(-c2ccc3cc(C4=NC(C)(C5CCCN5C(=O)OC(C)(C)C)NC4)ccc3c2)c1.

What is the InChIKey of tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate?

The InChIKey is LSRJYUXBXGYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-20-8-6-9-21(16-20)22-11-12-24-18-25(14-13-23(24)17-22)26-19-31-30(5,32-26)27-10-7-15-33(27)28(34)35-29(2,3)4/h6,8-9,11-14,16-18,27,31H,7,10,15,19H2,1-5H3.

What are the key properties of tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate?

tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 469.63 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-methyl-4-[6-(3-methylphenyl)naphthalen-2-yl]-1,5-dihydroimidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 123798780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).