1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one

C29H37N7O — CID 67793301

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

1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 67793301) has the molecular formula C29H37N7O and a molecular weight of 499.66 g/mol. Its IUPAC name is 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 67793301
• Molecular Formula: C29H37N7O
• Molecular Weight: 499.66 g/mol
• Exact Mass: 499.31
• IUPAC Name: 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCC(C1C(CC)CC1C(C)C)n1ccn(Cc2cnccc2-c2ccccc2-c2nn[nH]n2)c1=O
• InChI: InChI=1S/C29H37N7O/c1-5-9-26(27-20(6-2)16-25(27)19(3)4)36-15-14-35(29(36)37)18-21-17-30-13-12-22(21)23-10-7-8-11-24(23)28-31-33-34-32-28/h7-8,10-15,17,19-20,25-27H,5-6,9,16,18H2,1-4H3,(H,31,32,33,34)
• InChIKey: UMWGZNYHOXLSHP-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.66
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 67793301) is 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCC(C1C(CC)CC1C(C)C)n1ccn(Cc2cnccc2-c2ccccc2-c2nn[nH]n2)c1=O.

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

The InChIKey is UMWGZNYHOXLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O/c1-5-9-26(27-20(6-2)16-25(27)19(3)4)36-15-14-35(29(36)37)18-21-17-30-13-12-22(21)23-10-7-8-11-24(23)28-31-33-34-32-28/h7-8,10-15,17,19-20,25-27H,5-6,9,16,18H2,1-4H3,(H,31,32,33,34).

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

1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 499.66 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-ethyl-4-propan-2-ylcyclobutyl)butyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 67793301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).