[3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone

C69H51N9O3 — CID 57341003

IUPAC[3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cc(C(=O)N2C(c3ccccn3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc(C(=O)N2C(c3ccccn3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)c1)N1C(c2ccccn2)=N[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C69H51N9O3/c79-67(76-61(49-31-13-4-14-32-49)58(46-25-7-1-8-26-46)73-64(76)55-37-19-22-40-70-55)52-43-53(68(80)77-62(50-33-15-5-16-34-50)59(47-27-9-2-10-28-47)74-65(77)56-38-20-23-41-71-56)45-54(44-52)69(81)78-63(51-35-17-6-18-36-51)60(48-29-11-3-12-30-48)75-66(78)57-39-21-24-42-72-57/h1-45,58-63H/t58-,59-,60-,61-,62-,63-/m1/s1
InChIKeyVHRHACXZUNIPEJ-UJMGRXKWSA-N
MW1054.23 g/mol
LogP13.03
Rot. Bonds12

About [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone

[3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 57341003) has the molecular formula C69H51N9O3 and a molecular weight of 1054.23 g/mol. Its IUPAC name is [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone
PubChem CID57341003
Molecular FormulaC69H51N9O3
Molecular Weight1054.23 g/mol
Exact Mass1053.41
IUPAC Name[3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cc(C(=O)N2C(c3ccccn3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc(C(=O)N2C(c3ccccn3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)c1)N1C(c2ccccn2)=N[C@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C69H51N9O3/c79-67(76-61(49-31-13-4-14-32-49)58(46-25-7-1-8-26-46)73-64(76)55-37-19-22-40-70-55)52-43-53(68(80)77-62(50-33-15-5-16-34-50)59(47-27-9-2-10-28-47)74-65(77)56-38-20-23-41-71-56)45-54(44-52)69(81)78-63(51-35-17-6-18-36-51)60(48-29-11-3-12-30-48)75-66(78)57-39-21-24-42-72-57/h1-45,58-63H/t58-,59-,60-,61-,62-,63-/m1/s1
InChIKeyVHRHACXZUNIPEJ-UJMGRXKWSA-N
XLogP13.03
TPSA136.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.23
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone (CID 57341003) is [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone is O=C(c1cc(C(=O)N2C(c3ccccn3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)cc(C(=O)N2C(c3ccccn3)=N[C@H](c3ccccc3)[C@H]2c2ccccc2)c1)N1C(c2ccccn2)=N[C@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is VHRHACXZUNIPEJ-UJMGRXKWSA-N. The full InChI is InChI=1S/C69H51N9O3/c79-67(76-61(49-31-13-4-14-32-49)58(46-25-7-1-8-26-46)73-64(76)55-37-19-22-40-70-55)52-43-53(68(80)77-62(50-33-15-5-16-34-50)59(47-27-9-2-10-28-47)74-65(77)56-38-20-23-41-71-56)45-54(44-52)69(81)78-63(51-35-17-6-18-36-51)60(48-29-11-3-12-30-48)75-66(78)57-39-21-24-42-72-57/h1-45,58-63H/t58-,59-,60-,61-,62-,63-/m1/s1.
What are the key properties of [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone?
[3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 1054.23 g/mol, XLogP of 13.03, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazole-1-carbonyl]phenyl]-[(4R,5R)-4,5-diphenyl-2-pyridin-2-yl-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 57341003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).