1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one

C30H32N6O2 — CID 22566840

About 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one

1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one (PubChem CID 22566840) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 22566840
• Molecular Formula: C30H32N6O2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.26
• IUPAC Name: 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCc1cn(-c2c(OC)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C30H32N6O2/c1-5-9-23-19-36(28-24(20(2)3)12-8-13-27(28)38-4)30(37)35(23)18-21-14-16-22(17-15-21)25-10-6-7-11-26(25)29-31-33-34-32-29/h6-8,10-17,19-20H,5,9,18H2,1-4H3,(H,31,32,33,34)
• InChIKey: NVSQFXQPNRBDDX-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 90.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

The IUPAC name of 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one (CID 22566840) is 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one.

What is the SMILES notation for 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

The canonical SMILES for 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one is CCCc1cn(-c2c(OC)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

The InChIKey is NVSQFXQPNRBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-5-9-23-19-36(28-24(20(2)3)12-8-13-27(28)38-4)30(37)35(23)18-21-14-16-22(17-15-21)25-10-6-7-11-26(25)29-31-33-34-32-29/h6-8,10-17,19-20H,5,9,18H2,1-4H3,(H,31,32,33,34).

What are the key properties of 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one?

1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one has a molecular weight of 508.63 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxy-6-propan-2-ylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 22566840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).