4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one

C29H30N6O — CID 54270799

IUPAC4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C29H30N6O/c1-2-3-11-26-21-33(19-18-23-9-5-4-6-10-23)29(36)34(26)20-24-14-16-25(17-15-24)27-12-7-8-13-28(27)35-22-30-31-32-35/h4-10,12-17,21-22H,2-3,11,18-20H2,1H3
InChIKeyRJZCDKPADMKPCP-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.93
Rot. Bonds10

About 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one

4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one (PubChem CID 54270799) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
PubChem CID54270799
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
SMILESCCCCc1cn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1
InChIInChI=1S/C29H30N6O/c1-2-3-11-26-21-33(19-18-23-9-5-4-6-10-23)29(36)34(26)20-24-14-16-25(17-15-24)27-12-7-8-13-28(27)35-22-30-31-32-35/h4-10,12-17,21-22H,2-3,11,18-20H2,1H3
InChIKeyRJZCDKPADMKPCP-UHFFFAOYSA-N
XLogP4.93
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

4-hexyl-1-pentanoyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54457223
1-ethyl-4-(2-methylpropyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54230312
3,5-dibutyl-2-oxo-1-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 54455106
1-[2-[4-[[3-butyl-5-(2-phenylethyl)-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]tetrazole
CID 139834989
5-chloro-1-ethyl-4-propyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54155262
4-butyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-4-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384327
1-benzoyl-4-but-3-ynyl-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54278127
4-cyclohexyl-1-(3-methylbutyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 54060975
2-[4-[(3-benzyl-5-hexyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741024
[2-[4-[(3-butyl-5-hexyl-2-oxoimidazol-1-yl)methyl]phenyl]phenyl] hydrogen carbonate
CID 67754907
3-phenyl-8-propyl-7-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54239507
4-pentyl-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384899

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one (CID 54270799) is 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one is CCCCc1cn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1.
What is the InChIKey of 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
The InChIKey is RJZCDKPADMKPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-2-3-11-26-21-33(19-18-23-9-5-4-6-10-23)29(36)34(26)20-24-14-16-25(17-15-24)27-12-7-8-13-28(27)35-22-30-31-32-35/h4-10,12-17,21-22H,2-3,11,18-20H2,1H3.
What are the key properties of 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one?
4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one has a molecular weight of 478.60 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-phenylethyl)-3-[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 54270799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).