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

C25H23N7O — CID 18384820

IUPAC1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H23N7O/c1-2-7-21-17-32(20-8-4-3-5-9-20)25(33)31(21)16-18-11-13-19(14-12-18)23-22(10-6-15-26-23)24-27-29-30-28-24/h3-6,8-15,17H,2,7,16H2,1H3,(H,27,28,29,30)
InChIKeyIXGIFOBNCXUYQT-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.88
Rot. Bonds7

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

1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384820) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384820
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H23N7O/c1-2-7-21-17-32(20-8-4-3-5-9-20)25(33)31(21)16-18-11-13-19(14-12-18)23-22(10-6-15-26-23)24-27-29-30-28-24/h3-6,8-15,17H,2,7,16H2,1H3,(H,27,28,29,30)
InChIKeyIXGIFOBNCXUYQT-UHFFFAOYSA-N
XLogP3.88
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

2-[2-oxo-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-1-yl]benzoic acid
CID 67811955
3-methyl-2-[2-oxo-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-1-yl]benzoic acid
CID 54387638
1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384240
1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384217
1-(2-bromo-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 70279263
1-(2-tert-butyl-6-propan-2-ylphenyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54532700
4-butyl-1-(2-propan-2-ylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54246670
5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384354
1-methyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384633
1-cyclohexyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384636
4-butyl-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384701
4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384412

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384820) is 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCc1cn(-c2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is IXGIFOBNCXUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-2-7-21-17-32(20-8-4-3-5-9-20)25(33)31(21)16-18-11-13-19(14-12-18)23-22(10-6-15-26-23)24-27-29-30-28-24/h3-6,8-15,17H,2,7,16H2,1H3,(H,27,28,29,30).
What are the key properties of 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 437.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).