1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole

C63H66N6 — CID 159581682

IUPAC1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole
SMILESCc1cc(CCc2cccc(CCc3cc(C)c(-n4ccnc4-c4ccc(CCC5CCCC(CCc6ccc(-n7cccn7)cc6)C5)cc4)c(C)c3)c2)cc(C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C63H66N6/c1-45-39-55(40-46(2)60(45)67-37-34-64-62(67)57-15-6-5-7-16-57)23-21-53-13-9-14-54(44-53)22-24-56-41-47(3)61(48(4)42-56)68-38-35-65-63(68)58-29-25-49(26-30-58)17-19-51-11-8-12-52(43-51)20-18-50-27-31-59(32-28-50)69-36-10-33-66-69/h5-7,9-10,13-16,25-42,44,51-52H,8,11-12,17-24,43H2,1-4H3
InChIKeyZDTUKECIYJHWEB-UHFFFAOYSA-N
MW907.26 g/mol
LogP14.75
Rot. Bonds17

About 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole

1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole (PubChem CID 159581682) has the molecular formula C63H66N6 and a molecular weight of 907.26 g/mol. Its IUPAC name is 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole
PubChem CID159581682
Molecular FormulaC63H66N6
Molecular Weight907.26 g/mol
Exact Mass906.53
IUPAC Name1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole
SMILESCc1cc(CCc2cccc(CCc3cc(C)c(-n4ccnc4-c4ccc(CCC5CCCC(CCc6ccc(-n7cccn7)cc6)C5)cc4)c(C)c3)c2)cc(C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C63H66N6/c1-45-39-55(40-46(2)60(45)67-37-34-64-62(67)57-15-6-5-7-16-57)23-21-53-13-9-14-54(44-53)22-24-56-41-47(3)61(48(4)42-56)68-38-35-65-63(68)58-29-25-49(26-30-58)17-19-51-11-8-12-52(43-51)20-18-50-27-31-59(32-28-50)69-36-10-33-66-69/h5-7,9-10,13-16,25-42,44,51-52H,8,11-12,17-24,43H2,1-4H3
InChIKeyZDTUKECIYJHWEB-UHFFFAOYSA-N
XLogP14.75
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.26
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole?
The IUPAC name of 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole (CID 159581682) is 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole is Cc1cc(CCc2cccc(CCc3cc(C)c(-n4ccnc4-c4ccc(CCC5CCCC(CCc6ccc(-n7cccn7)cc6)C5)cc4)c(C)c3)c2)cc(C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole?
The InChIKey is ZDTUKECIYJHWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H66N6/c1-45-39-55(40-46(2)60(45)67-37-34-64-62(67)57-15-6-5-7-16-57)23-21-53-13-9-14-54(44-53)22-24-56-41-47(3)61(48(4)42-56)68-38-35-65-63(68)58-29-25-49(26-30-58)17-19-51-11-8-12-52(43-51)20-18-50-27-31-59(32-28-50)69-36-10-33-66-69/h5-7,9-10,13-16,25-42,44,51-52H,8,11-12,17-24,43H2,1-4H3.
What are the key properties of 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole?
1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole has a molecular weight of 907.26 g/mol, XLogP of 14.75, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-[2-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]-2,6-dimethylphenyl]-2-[4-[2-[3-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclohexyl]ethyl]phenyl]imidazole is sourced from PubChem (CID 159581682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).