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

C28H29N7O — CID 18384577

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

1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 18384577) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 18384577
• Molecular Formula: C28H29N7O
• Molecular Weight: 479.59 g/mol
• Exact Mass: 479.24
• IUPAC Name: 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCCc1c(C)n(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
• InChI: InChI=1S/C28H29N7O/c1-3-4-14-26-20(2)34(18-21-10-6-5-7-11-21)28(36)35(26)19-22-15-16-25(29-17-22)23-12-8-9-13-24(23)27-30-32-33-31-27/h5-13,15-17H,3-4,14,18-19H2,1-2H3,(H,30,31,32,33)
• InChIKey: BOFBBKCLSMCZLJ-UHFFFAOYSA-N
• XLogP: 4.64
• 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	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 18384577) is 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1c(C)n(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.

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

The InChIKey is BOFBBKCLSMCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-3-4-14-26-20(2)34(18-21-10-6-5-7-11-21)28(36)35(26)19-22-15-16-25(29-17-22)23-12-8-9-13-24(23)27-30-32-33-31-27/h5-13,15-17H,3-4,14,18-19H2,1-2H3,(H,30,31,32,33).

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

1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 479.59 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).