5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one

C28H29N7O — CID 18384258

About 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one

5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384258) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 18384258
• Molecular Formula: C28H29N7O
• Molecular Weight: 479.59 g/mol
• Exact Mass: 479.24
• IUPAC Name: 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCc1c(C)n(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C28H29N7O/c1-3-8-25-20(2)34(18-16-21-9-5-4-6-10-21)28(36)35(25)19-22-12-14-23(15-13-22)26-24(11-7-17-29-26)27-30-32-33-31-27/h4-7,9-15,17H,3,8,16,18-19H2,1-2H3,(H,30,31,32,33)
• InChIKey: SNLSPOKSUFMYQA-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.59
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?

The IUPAC name of 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384258) is 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

What is the SMILES notation for 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?

The canonical SMILES for 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1c(C)n(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?

The InChIKey is SNLSPOKSUFMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-3-8-25-20(2)34(18-16-21-9-5-4-6-10-21)28(36)35(25)19-22-12-14-23(15-13-22)26-24(11-7-17-29-26)27-30-32-33-31-27/h4-7,9-15,17H,3,8,16,18-19H2,1-2H3,(H,30,31,32,33).

What are the key properties of 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?

5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 479.59 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-(2-phenylethyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).