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

C28H35N7O — CID 67918329

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

1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 67918329) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• PubChem CID: 67918329
• Molecular Formula: C28H35N7O
• Molecular Weight: 485.64 g/mol
• Exact Mass: 485.29
• IUPAC Name: 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
• SMILES: CCCc1c(C)n(CCC2CCCCC2)c(=O)n1Cc1ccc(-c2ccc(-c3nn[nH]n3)cc2)nc1
• InChI: InChI=1S/C28H35N7O/c1-3-7-26-20(2)34(17-16-21-8-5-4-6-9-21)28(36)35(26)19-22-10-15-25(29-18-22)23-11-13-24(14-12-23)27-30-32-33-31-27/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,30,31,32,33)
• InChIKey: SGWMDBMCSZVVPQ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.64
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 67918329) is 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

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

The canonical SMILES for 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCc1c(C)n(CCC2CCCCC2)c(=O)n1Cc1ccc(-c2ccc(-c3nn[nH]n3)cc2)nc1.

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

The InChIKey is SGWMDBMCSZVVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-3-7-26-20(2)34(17-16-21-8-5-4-6-9-21)28(36)35(26)19-22-10-15-25(29-18-22)23-11-13-24(14-12-23)27-30-32-33-31-27/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,30,31,32,33).

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

1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 485.64 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyclohexylethyl)-5-methyl-4-propyl-3-[[6-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 67918329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).