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

C32H37N7O — CID 54532700

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

1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 54532700) has the molecular formula C32H37N7O and a molecular weight of 535.70 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 54532700
• Molecular Formula: C32H37N7O
• Molecular Weight: 535.70 g/mol
• Exact Mass: 535.31
• IUPAC Name: 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCc1cn(-c2c(C(C)C)cccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C32H37N7O/c1-7-10-24-20-39(29-25(21(2)3)11-8-13-27(29)32(4,5)6)31(40)38(24)19-22-14-16-23(17-15-22)28-26(12-9-18-33-28)30-34-36-37-35-30/h8-9,11-18,20-21H,7,10,19H2,1-6H3,(H,34,35,36,37)
• InChIKey: YXQDBBASQCHKHF-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.70
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 54532700) is 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1cn(-c2c(C(C)C)cccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.

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

The InChIKey is YXQDBBASQCHKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O/c1-7-10-24-20-39(29-25(21(2)3)11-8-13-27(29)32(4,5)6)31(40)38(24)19-22-14-16-23(17-15-22)28-26(12-9-18-33-28)30-34-36-37-35-30/h8-9,11-18,20-21H,7,10,19H2,1-6H3,(H,34,35,36,37).

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

1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 535.70 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 54532700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).