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

C26H33N7O — CID 18384778

IUPAC1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCCc1c(C)n(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H33N7O/c1-6-7-8-13-23-18(2)33(26(3,4)5)25(34)32(23)17-20-15-14-19(16-27-20)21-11-9-10-12-22(21)24-28-30-31-29-24/h9-12,14-16H,6-8,13,17H2,1-5H3,(H,28,29,30,31)
InChIKeyPIYMYFUKHYGHCX-UHFFFAOYSA-N
MW459.60 g/mol
LogP4.74
Rot. Bonds8

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

1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (PubChem CID 18384778) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
PubChem CID18384778
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
SMILESCCCCCc1c(C)n(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H33N7O/c1-6-7-8-13-23-18(2)33(26(3,4)5)25(34)32(23)17-20-15-14-19(16-27-20)21-11-9-10-12-22(21)24-28-30-31-29-24/h9-12,14-16H,6-8,13,17H2,1-5H3,(H,28,29,30,31)
InChIKeyPIYMYFUKHYGHCX-UHFFFAOYSA-N
XLogP4.74
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-1-tert-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740479
4-butyl-5-chloro-1-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10184295
1-tert-butyl-5-methyl-4-pentyl-3-[[4-[4-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384706
1-(cyclohexylmethyl)-5-methyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384807
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-5-chloro-1-cyclohexyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384843
1-butyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384951
4-butyl-1-(2-tert-butylphenyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 70279460
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
4-butyl-1-(2-tert-butylcyclobutyl)-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 54229068
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-tert-butyl-5-(difluoromethyl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19741227

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The IUPAC name of 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one (CID 18384778) is 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The canonical SMILES for 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is CCCCCc1c(C)n(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
The InChIKey is PIYMYFUKHYGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O/c1-6-7-8-13-23-18(2)33(26(3,4)5)25(34)32(23)17-20-15-14-19(16-27-20)21-11-9-10-12-22(21)24-28-30-31-29-24/h9-12,14-16H,6-8,13,17H2,1-5H3,(H,28,29,30,31).
What are the key properties of 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one?
1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one has a molecular weight of 459.60 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-4-pentyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).