3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea

C19H25N7O — CID 72849632

About 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea

3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea (PubChem CID 72849632) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea.

Molecular Properties

• Compound Name: 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
• PubChem CID: 72849632
• Molecular Formula: C19H25N7O
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.21
• IUPAC Name: 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
• SMILES: CCCN(Cc1nccn1C)C(=O)Nc1cccc(-c2n[nH]c(CC)n2)c1
• InChI: InChI=1S/C19H25N7O/c1-4-10-26(13-17-20-9-11-25(17)3)19(27)21-15-8-6-7-14(12-15)18-22-16(5-2)23-24-18/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,21,27)(H,22,23,24)
• InChIKey: SCLIDDYVQBZOOD-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?

The IUPAC name of 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea (CID 72849632) is 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea.

What is the SMILES notation for 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?

The canonical SMILES for 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea is CCCN(Cc1nccn1C)C(=O)Nc1cccc(-c2n[nH]c(CC)n2)c1.

What is the InChIKey of 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?

The InChIKey is SCLIDDYVQBZOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-10-26(13-17-20-9-11-25(17)3)19(27)21-15-8-6-7-14(12-15)18-22-16(5-2)23-24-18/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,21,27)(H,22,23,24).

What are the key properties of 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea?

3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea has a molecular weight of 367.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea is sourced from PubChem (CID 72849632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).