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

C30H33N7O — CID 70279460

IUPAC4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C30H33N7O/c1-5-6-11-23-20-37(27-15-10-9-14-26(27)30(2,3)4)29(38)36(23)19-22-17-16-21(18-31-22)24-12-7-8-13-25(24)28-32-34-35-33-28/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,33,34,35)
InChIKeyLCSAAKXTAVKRKY-UHFFFAOYSA-N
MW507.64 g/mol
LogP5.57
Rot. Bonds8

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

4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 70279460) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID70279460
Molecular FormulaC30H33N7O
Molecular Weight507.64 g/mol
Exact Mass507.27
IUPAC Name4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C30H33N7O/c1-5-6-11-23-20-37(27-15-10-9-14-26(27)30(2,3)4)29(38)36(23)19-22-17-16-21(18-31-22)24-12-7-8-13-25(24)28-32-34-35-33-28/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,33,34,35)
InChIKeyLCSAAKXTAVKRKY-UHFFFAOYSA-N
XLogP5.57
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-(2-tert-butyl-6-chlorophenyl)-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54574108
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
4-butyl-1-(1-ethyltetrazol-5-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19383744
2-[2-oxo-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-1-yl]benzoic acid
CID 54356266
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-propan-2-yl-3-(trifluoromethyl)pyrrol-2-yl]-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384055
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
4-butyl-1-(3-chloro-1-propylpyrrol-2-yl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 19384197
4-butyl-1-(2-tert-butylcyclobutyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54229068
4-butyl-1-(2-fluoro-6-propan-2-ylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54357500

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 70279460) is 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is LCSAAKXTAVKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c1-5-6-11-23-20-37(27-15-10-9-14-26(27)30(2,3)4)29(38)36(23)19-22-17-16-21(18-31-22)24-12-7-8-13-25(24)28-32-34-35-33-28/h7-10,12-18,20H,5-6,11,19H2,1-4H3,(H,32,33,34,35).
What are the key properties of 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 507.64 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 70279460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).