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

C23H27N7O — CID 18384286

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

5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 18384286) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 18384286
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCc1c(C)n(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
• InChI: InChI=1S/C23H27N7O/c1-5-8-21-16(4)30(15(2)3)23(31)29(21)14-17-11-12-20(24-13-17)18-9-6-7-10-19(18)22-25-27-28-26-22/h6-7,9-13,15H,5,8,14H2,1-4H3,(H,25,26,27,28)
• InChIKey: APJWAHWJSQZHSD-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 18384286) is 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCc1c(C)n(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.

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

The InChIKey is APJWAHWJSQZHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-5-8-21-16(4)30(15(2)3)23(31)29(21)14-17-11-12-20(24-13-17)18-9-6-7-10-19(18)22-25-27-28-26-22/h6-7,9-13,15H,5,8,14H2,1-4H3,(H,25,26,27,28).

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

5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 417.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).