1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea

C25H30F3N5O — CID 67406180

About 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea

1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea (PubChem CID 67406180) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea.

Molecular Properties

• Compound Name: 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea
• PubChem CID: 67406180
• Molecular Formula: C25H30F3N5O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.24
• IUPAC Name: 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea
• SMILES: CC(C)(C)[C@H](c1nc(-c2cccc(F)c2)cn1Cc1cccc(F)c1)N(C[C@H](F)CN)C(N)=O
• InChI: InChI=1S/C25H30F3N5O/c1-25(2,3)22(33(24(30)34)14-20(28)12-29)23-31-21(17-7-5-9-19(27)11-17)15-32(23)13-16-6-4-8-18(26)10-16/h4-11,15,20,22H,12-14,29H2,1-3H3,(H2,30,34)/t20-,22+/m1/s1
• InChIKey: PRXTZIHOAREPRY-IRLDBZIGSA-N
• XLogP: 4.64
• TPSA: 90.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea?

The IUPAC name of 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea (CID 67406180) is 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea.

What is the SMILES notation for 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea?

The canonical SMILES for 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea is CC(C)(C)[C@H](c1nc(-c2cccc(F)c2)cn1Cc1cccc(F)c1)N(C[C@H](F)CN)C(N)=O.

What is the InChIKey of 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea?

The InChIKey is PRXTZIHOAREPRY-IRLDBZIGSA-N. The full InChI is InChI=1S/C25H30F3N5O/c1-25(2,3)22(33(24(30)34)14-20(28)12-29)23-31-21(17-7-5-9-19(27)11-17)15-32(23)13-16-6-4-8-18(26)10-16/h4-11,15,20,22H,12-14,29H2,1-3H3,(H2,30,34)/t20-,22+/m1/s1.

What are the key properties of 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea?

1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea has a molecular weight of 473.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-3-amino-2-fluoropropyl]-1-[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]urea is sourced from PubChem (CID 67406180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).