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

C28H29N7O — CID 18384217

IUPAC1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCCc1cn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H29N7O/c1-2-3-5-11-24-20-34(18-21-9-6-4-7-10-21)28(36)35(24)19-22-13-15-23(16-14-22)26-25(12-8-17-29-26)27-30-32-33-31-27/h4,6-10,12-17,20H,2-3,5,11,18-19H2,1H3,(H,30,31,32,33)
InChIKeyLYCGHEUARLPABW-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.72
Rot. Bonds10

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

1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 18384217) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID18384217
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCCCCCc1cn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C28H29N7O/c1-2-3-5-11-24-20-34(18-21-9-6-4-7-10-21)28(36)35(24)19-22-13-15-23(16-14-22)26-25(12-8-17-29-26)27-30-32-33-31-27/h4,6-10,12-17,20H,2-3,5,11,18-19H2,1H3,(H,30,31,32,33)
InChIKeyLYCGHEUARLPABW-UHFFFAOYSA-N
XLogP4.72
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

1-methyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384633
4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384412
4-pentyl-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384899
1-(2-methylpropyl)-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384240
1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384820
4-butyl-1-cyclohexyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384478
5-chloro-4-pentyl-1-(2-phenylethyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384404
4-butyl-1-(2-propan-2-ylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54246670
1-benzyl-4-butyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 10183375
1-cyclohexyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384636
2-[2-oxo-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-1-yl]benzoic acid
CID 67811955
2-[4-butyl-2-oxo-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-1-yl]-3-fluorobenzoic acid
CID 54335696

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 18384217) is 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is CCCCCc1cn(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ncccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is LYCGHEUARLPABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-2-3-5-11-24-20-34(18-21-9-6-4-7-10-21)28(36)35(24)19-22-13-15-23(16-14-22)26-25(12-8-17-29-26)27-30-32-33-31-27/h4,6-10,12-17,20H,2-3,5,11,18-19H2,1H3,(H,30,31,32,33).
What are the key properties of 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 479.59 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 18384217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).