1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one

C28H28N6O — CID 139699075

IUPAC1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one
SMILESCCCc1cn(-c2ccccc2CC)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C28H28N6O/c1-3-10-23-19-34(26-14-9-8-11-21(26)4-2)28(35)33(23)18-20-15-16-24(22-12-6-5-7-13-22)25(17-20)27-29-31-32-30-27/h5-9,11-17,19H,3-4,10,18H2,1-2H3,(H,29,30,31,32)
InChIKeyHLMOAXADQGOONX-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.05
Rot. Bonds8

About 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one

1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one (PubChem CID 139699075) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one
PubChem CID139699075
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one
SMILESCCCc1cn(-c2ccccc2CC)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C28H28N6O/c1-3-10-23-19-34(26-14-9-8-11-21(26)4-2)28(35)33(23)18-20-15-16-24(22-12-6-5-7-13-22)25(17-20)27-29-31-32-30-27/h5-9,11-17,19H,3-4,10,18H2,1-2H3,(H,29,30,31,32)
InChIKeyHLMOAXADQGOONX-UHFFFAOYSA-N
XLogP5.05
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethylphenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54351824
3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1-propanoyl-4-propylimidazol-2-one
CID 67910659
1-(2-methoxyphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566861
4-butyl-1-(2-ethylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 70277185
1-(2-chlorophenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54476699
1-(2-hydroxyphenyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566902
1-(2-chloro-6-methylphenyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 22566813
1-(2-bromo-6-ethylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54318316
2-[2-oxo-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-1-yl]benzoic acid
CID 67811955
1-propanoyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741156
1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384820
4-butyl-1-(2-tert-butyl-6-propylphenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 10187473

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one?
The IUPAC name of 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one (CID 139699075) is 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one?
The canonical SMILES for 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one is CCCc1cn(-c2ccccc2CC)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one?
The InChIKey is HLMOAXADQGOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-3-10-23-19-34(26-14-9-8-11-21(26)4-2)28(35)33(23)18-20-15-16-24(22-12-6-5-7-13-22)25(17-20)27-29-31-32-30-27/h5-9,11-17,19H,3-4,10,18H2,1-2H3,(H,29,30,31,32).
What are the key properties of 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one?
1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one has a molecular weight of 464.57 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-4-propylimidazol-2-one is sourced from PubChem (CID 139699075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).