1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea

C20H23N5O2 — CID 126777951

About 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea

1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea (PubChem CID 126777951) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea.

Molecular Properties

• Compound Name: 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
• PubChem CID: 126777951
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea
• SMILES: COc1c(C)ccc(NC(=O)NC(c2ccccc2)c2n[nH]c(C)n2)c1C
• InChI: InChI=1S/C20H23N5O2/c1-12-10-11-16(13(2)18(12)27-4)22-20(26)23-17(15-8-6-5-7-9-15)19-21-14(3)24-25-19/h5-11,17H,1-4H3,(H,21,24,25)(H2,22,23,26)
• InChIKey: BTQPWCWAJBBZCC-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

The IUPAC name of 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea (CID 126777951) is 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea.

What is the SMILES notation for 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

The canonical SMILES for 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea is COc1c(C)ccc(NC(=O)NC(c2ccccc2)c2n[nH]c(C)n2)c1C.

What is the InChIKey of 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

The InChIKey is BTQPWCWAJBBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-10-11-16(13(2)18(12)27-4)22-20(26)23-17(15-8-6-5-7-9-15)19-21-14(3)24-25-19/h5-11,17H,1-4H3,(H,21,24,25)(H2,22,23,26).

What are the key properties of 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea?

1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxy-2,4-dimethylphenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]urea is sourced from PubChem (CID 126777951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).