1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

C19H24FN5O — CID 125437107

About 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea

1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (PubChem CID 125437107) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
• PubChem CID: 125437107
• Molecular Formula: C19H24FN5O
• Molecular Weight: 357.43 g/mol
• Exact Mass: 357.20
• IUPAC Name: 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
• SMILES: CC(C)[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1nccn1C
• InChI: InChI=1S/C19H24FN5O/c1-12(2)17(18-21-7-8-24(18)3)23-19(26)25(4)11-15-10-13-9-14(20)5-6-16(13)22-15/h5-10,12,17,22H,11H2,1-4H3,(H,23,26)/t17-/m1/s1
• InChIKey: OARZKWJUDAEBDJ-QGZVFWFLSA-N
• XLogP: 3.58
• TPSA: 65.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.43
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

The IUPAC name of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea (CID 125437107) is 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea.

What is the SMILES notation for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

The canonical SMILES for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is CC(C)[C@@H](NC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)c1nccn1C.

What is the InChIKey of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

The InChIKey is OARZKWJUDAEBDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-12(2)17(18-21-7-8-24(18)3)23-19(26)25(4)11-15-10-13-9-14(20)5-6-16(13)22-15/h5-10,12,17,22H,11H2,1-4H3,(H,23,26)/t17-/m1/s1.

What are the key properties of 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea?

1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea has a molecular weight of 357.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-fluoro-1H-indol-2-yl)methyl]-1-methyl-3-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea is sourced from PubChem (CID 125437107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).