4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one

C25H31N7O — CID 67833969

IUPAC4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1c(CC(C)(C)C)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C25H31N7O/c1-5-6-11-22-21(14-25(2,3)4)27-24(33)32(22)16-17-12-13-20(26-15-17)18-9-7-8-10-19(18)23-28-30-31-29-23/h7-10,12-13,15H,5-6,11,14,16H2,1-4H3,(H,27,33)(H,28,29,30,31)
InChIKeyDWYPUHONCFHAMR-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.40
Rot. Bonds8

About 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one

4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (PubChem CID 67833969) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
PubChem CID67833969
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC Name4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
SMILESCCCCc1c(CC(C)(C)C)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C25H31N7O/c1-5-6-11-22-21(14-25(2,3)4)27-24(33)32(22)16-17-12-13-20(26-15-17)18-9-7-8-10-19(18)23-28-30-31-29-23/h7-10,12-13,15H,5-6,11,14,16H2,1-4H3,(H,27,33)(H,28,29,30,31)
InChIKeyDWYPUHONCFHAMR-UHFFFAOYSA-N
XLogP4.40
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one with MolForge

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Related Compounds

4-butyl-5-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 70340304
5-butyl-4-(3-methylbutyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 70339829
4-butyl-5-propan-2-yl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one
CID 67833986
1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384577
1-benzyl-5-methyl-4-pentyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384856
5-[[5-butyl-3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976231
4-butyl-1-(2-hydroxycyclopropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 139681560
4-butyl-1-(2-tert-butyl-6-methylphenyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54458184
4-butyl-1-(2-tert-butylcyclohexyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54488659
5-methyl-1-propan-2-yl-4-propyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384286
5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane
CID 143417079
4-butyl-1-(1-ethylpyrrol-2-yl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 15293155

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The IUPAC name of 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one (CID 67833969) is 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The canonical SMILES for 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is CCCCc1c(CC(C)(C)C)[nH]c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
The InChIKey is DWYPUHONCFHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-5-6-11-22-21(14-25(2,3)4)27-24(33)32(22)16-17-12-13-20(26-15-17)18-9-7-8-10-19(18)23-28-30-31-29-23/h7-10,12-13,15H,5-6,11,14,16H2,1-4H3,(H,27,33)(H,28,29,30,31).
What are the key properties of 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one?
4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one has a molecular weight of 445.57 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(2,2-dimethylpropyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]-1H-imidazol-2-one is sourced from PubChem (CID 67833969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).