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

C25H34N4O3 — CID 78003432

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

methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 78003432) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 78003432
• Molecular Formula: C25H34N4O3
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.26
• IUPAC Name: methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(C3CCCC3)cc2)[nH]1)C(C)C
• InChI: InChI=1S/C25H34N4O3/c1-16(2)22(28-25(31)32-3)24(30)29-14-6-9-21(29)23-26-15-20(27-23)19-12-10-18(11-13-19)17-7-4-5-8-17/h10-13,15-17,21-22H,4-9,14H2,1-3H3,(H,26,27)(H,28,31)
• InChIKey: JFNVYOKZVXIVTE-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 78003432) is methyl N-[1-[2-[5-(4-cyclopentylphenyl)-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-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(C3CCCC3)cc2)[nH]1)C(C)C.

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

The InChIKey is JFNVYOKZVXIVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-16(2)22(28-25(31)32-3)24(30)29-14-6-9-21(29)23-26-15-20(27-23)19-12-10-18(11-13-19)17-7-4-5-8-17/h10-13,15-17,21-22H,4-9,14H2,1-3H3,(H,26,27)(H,28,31).

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

methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 438.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[2-[5-(4-cyclopentylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 78003432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).