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

C22H22N10O — CID 19383393

IUPAC1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2ncnn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C22H22N10O/c1-3-6-17-13-32(21-24-14-25-30(21)2)22(33)31(17)12-16-10-9-15(11-23-16)18-7-4-5-8-19(18)20-26-28-29-27-20/h4-5,7-11,13-14H,3,6,12H2,1-2H3,(H,26,27,28,29)
InChIKeyLJYOAVKMKUKWMI-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.01
Rot. Bonds7

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

1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 19383393) has the molecular formula C22H22N10O and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID19383393
Molecular FormulaC22H22N10O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCc1cn(-c2ncnn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C22H22N10O/c1-3-6-17-13-32(21-24-14-25-30(21)2)22(33)31(17)12-16-10-9-15(11-23-16)18-7-4-5-8-19(18)20-26-28-29-27-20/h4-5,7-11,13-14H,3,6,12H2,1-2H3,(H,26,27,28,29)
InChIKeyLJYOAVKMKUKWMI-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-1-(2-tert-butyl-1,2,4-triazol-3-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383499
1-butyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384951
2-[2-oxo-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]benzoic acid
CID 54356266
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383780
4-butyl-1-(4-ethyl-1-methylpyrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383428
4-butyl-1-(4-chloro-1-methylpyrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383663
4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383744
1-(2-tert-butyl-6-methylphenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54466227
1-benzyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384220
1-(2-tert-butyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54574108
1-(2-acetyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54148410
4-butyl-1-[1,4-di(propan-2-yl)pyrazol-5-yl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384156

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 19383393) is 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCc1cn(-c2ncnn2C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is LJYOAVKMKUKWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O/c1-3-6-17-13-32(21-24-14-25-30(21)2)22(33)31(17)12-16-10-9-15(11-23-16)18-7-4-5-8-19(18)20-26-28-29-27-20/h4-5,7-11,13-14H,3,6,12H2,1-2H3,(H,26,27,28,29).
What are the key properties of 1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
1-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-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-(2-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19383393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).