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

C27H33N7O — CID 67834638

IUPAC4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
SMILESCCCCc1cn(CCC2CCCCC2)c(=O)n1-c1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H33N7O/c1-2-3-10-23-19-33(18-16-20-8-5-4-6-9-20)27(35)34(23)22-14-12-21(13-15-22)25-24(11-7-17-28-25)26-29-31-32-30-26/h7,11-15,17,19-20H,2-6,8-10,16,18H2,1H3,(H,29,30,31,32)
InChIKeyZUSLZUQKTMFOLA-UHFFFAOYSA-N
MW471.61 g/mol
LogP5.19
Rot. Bonds9

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

4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one (PubChem CID 67834638) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
PubChem CID67834638
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
SMILESCCCCc1cn(CCC2CCCCC2)c(=O)n1-c1ccc(-c2ncccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H33N7O/c1-2-3-10-23-19-33(18-16-20-8-5-4-6-9-20)27(35)34(23)22-14-12-21(13-15-22)25-24(11-7-17-28-25)26-29-31-32-30-26/h7,11-15,17,19-20H,2-6,8-10,16,18H2,1H3,(H,29,30,31,32)
InChIKeyZUSLZUQKTMFOLA-UHFFFAOYSA-N
XLogP5.19
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

4-butyl-1-cyclohexyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384478
1-cyclohexyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384636
4-butyl-5-methyl-1-pentyl-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one
CID 67833895
1-methyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384633
1-benzyl-4-pentyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384217
5-chloro-1-(2-cyclohexylethyl)-4-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384198
4-butyl-5-chloro-1-phenyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384341
4-pentyl-1-propyl-3-[[4-[2-(2H-tetrazol-5-yl)-3-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384899
2-[4-[[5-(cyclohexylmethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 18700766
4-pentyl-1-propan-2-yl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384412
4-butyl-1-(2-propan-2-ylphenyl)-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 54246670
5-methyl-1-phenyl-4-propyl-3-[[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 18384354

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one?
The IUPAC name of 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one (CID 67834638) is 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one.
What is the SMILES notation for 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one?
The canonical SMILES for 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one is CCCCc1cn(CCC2CCCCC2)c(=O)n1-c1ccc(-c2ncccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one?
The InChIKey is ZUSLZUQKTMFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-2-3-10-23-19-33(18-16-20-8-5-4-6-9-20)27(35)34(23)22-14-12-21(13-15-22)25-24(11-7-17-28-25)26-29-31-32-30-26/h7,11-15,17,19-20H,2-6,8-10,16,18H2,1H3,(H,29,30,31,32).
What are the key properties of 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one?
4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one has a molecular weight of 471.61 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(2-cyclohexylethyl)-3-[4-[3-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]imidazol-2-one is sourced from PubChem (CID 67834638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).