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

C25H22ClN7O — CID 54476699

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

1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 54476699) has the molecular formula C25H22ClN7O and a molecular weight of 471.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
• PubChem CID: 54476699
• Molecular Formula: C25H22ClN7O
• Molecular Weight: 471.95 g/mol
• Exact Mass: 471.16
• IUPAC Name: 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
• SMILES: CCCc1cn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C25H22ClN7O/c1-2-5-19-16-33(23-7-4-3-6-22(23)26)25(34)32(19)15-17-8-10-18(11-9-17)20-12-13-27-14-21(20)24-28-30-31-29-24/h3-4,6-14,16H,2,5,15H2,1H3,(H,28,29,30,31)
• InChIKey: XMBWQPQRDCLISQ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.95
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one (CID 54476699) is 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1cn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccncc2-c2nn[nH]n2)cc1.

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

The InChIKey is XMBWQPQRDCLISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN7O/c1-2-5-19-16-33(23-7-4-3-6-22(23)26)25(34)32(19)15-17-8-10-18(11-9-17)20-12-13-27-14-21(20)24-28-30-31-29-24/h3-4,6-14,16H,2,5,15H2,1H3,(H,28,29,30,31).

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

1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 471.95 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 54476699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).