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

C22H22N10O — CID 19383292

IUPAC1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nncn2C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C22H22N10O/c1-3-6-16-13-32(21-27-24-14-30(21)2)22(33)31(16)12-15-11-23-10-9-17(15)18-7-4-5-8-19(18)20-25-28-29-26-20/h4-5,7-11,13-14H,3,6,12H2,1-2H3,(H,25,26,28,29)
InChIKeyONKXYBLUMQLOHS-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.01
Rot. Bonds7

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

1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383292) has the molecular formula C22H22N10O and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID19383292
Molecular FormulaC22H22N10O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2nncn2C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C22H22N10O/c1-3-6-16-13-32(21-27-24-14-30(21)2)22(33)31(16)12-15-11-23-10-9-17(15)18-7-4-5-8-19(18)20-25-28-29-26-20/h4-5,7-11,13-14H,3,6,12H2,1-2H3,(H,25,26,28,29)
InChIKeyONKXYBLUMQLOHS-UHFFFAOYSA-N
XLogP2.01
TPSA124.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

1-(1-propan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383496
1-(4-ethyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383817
4-butyl-1-(3-tert-butyl-1-methylpyrrol-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383859
4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384125
4-butyl-1-[3-(hydroxymethyl)-1-methylpyrrol-2-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383695
4-butyl-1-(1-methyl-4-propan-2-ylpyrazol-5-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383941
1-(3-bromo-1-propylpyrrol-2-yl)-4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383745
5-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-methylpyrazole-4-carboxylic acid
CID 19383307
1-(2-ethylphenyl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54351824
4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681547
1-(1-butan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[4-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383682
4-butyl-1-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 19383292) is 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2nncn2C)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is ONKXYBLUMQLOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O/c1-3-6-16-13-32(21-27-24-14-30(21)2)22(33)31(16)12-15-11-23-10-9-17(15)18-7-4-5-8-19(18)20-25-28-29-26-20/h4-5,7-11,13-14H,3,6,12H2,1-2H3,(H,25,26,28,29).
What are the key properties of 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 442.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).