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

C25H27N9O — CID 19384125

IUPAC4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2ccnn2CC)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C25H27N9O/c1-3-5-8-19-17-33(23-12-14-27-34(23)4-2)25(35)32(19)16-18-15-26-13-11-20(18)21-9-6-7-10-22(21)24-28-30-31-29-24/h6-7,9-15,17H,3-5,8,16H2,1-2H3,(H,28,29,30,31)
InChIKeyNWCUEKLCGFFTRH-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.49
Rot. Bonds9

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

4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (PubChem CID 19384125) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
PubChem CID19384125
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2ccnn2CC)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C25H27N9O/c1-3-5-8-19-17-33(23-12-14-27-34(23)4-2)25(35)32(19)16-18-15-26-13-11-20(18)21-9-6-7-10-22(21)24-28-30-31-29-24/h6-7,9-15,17H,3-5,8,16H2,1-2H3,(H,28,29,30,31)
InChIKeyNWCUEKLCGFFTRH-UHFFFAOYSA-N
XLogP3.49
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
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-(3-tert-butyl-1-methylpyrrol-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383859
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
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
methyl 2-[4-butyl-2-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-1-yl]-1-ethylpyrrole-3-carboxylate
CID 19383965
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
4-butyl-1-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595
4-butyl-1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384050
4-butyl-1-(2-ethylcyclobutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681547
4-butyl-1-(2-methyl-3-propan-2-ylcyclopropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54388497

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one (CID 19384125) is 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(-c2ccnn2CC)c(=O)n1Cc1cnccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
The InChIKey is NWCUEKLCGFFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O/c1-3-5-8-19-17-33(23-12-14-27-34(23)4-2)25(35)32(19)16-18-15-26-13-11-20(18)21-9-6-7-10-22(21)24-28-30-31-29-24/h6-7,9-15,17H,3-5,8,16H2,1-2H3,(H,28,29,30,31).
What are the key properties of 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one has a molecular weight of 469.55 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 19384125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).