2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine

C29H33N5 — CID 134939738

IUPAC2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine
SMILESCC(C)[C@@H]1CN(c2ccccc2)C(c2cccc(C3=N[C@H](C(C)C)CN3c3ccccc3)n2)=N1
InChIInChI=1S/C29H33N5/c1-20(2)26-18-33(22-12-7-5-8-13-22)28(31-26)24-16-11-17-25(30-24)29-32-27(21(3)4)19-34(29)23-14-9-6-10-15-23/h5-17,20-21,26-27H,18-19H2,1-4H3/t26-,27-/m0/s1
InChIKeyMIPATOQSJSJHKK-SVBPBHIXSA-N
MW451.62 g/mol
LogP5.66
Rot. Bonds6

About 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine

2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine (PubChem CID 134939738) has the molecular formula C29H33N5 and a molecular weight of 451.62 g/mol. Its IUPAC name is 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine.

Molecular Properties

Compound Name2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine
PubChem CID134939738
Molecular FormulaC29H33N5
Molecular Weight451.62 g/mol
Exact Mass451.27
IUPAC Name2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine
SMILESCC(C)[C@@H]1CN(c2ccccc2)C(c2cccc(C3=N[C@H](C(C)C)CN3c3ccccc3)n2)=N1
InChIInChI=1S/C29H33N5/c1-20(2)26-18-33(22-12-7-5-8-13-22)28(31-26)24-16-11-17-25(30-24)29-32-27(21(3)4)19-34(29)23-14-9-6-10-15-23/h5-17,20-21,26-27H,18-19H2,1-4H3/t26-,27-/m0/s1
InChIKeyMIPATOQSJSJHKK-SVBPBHIXSA-N
XLogP5.66
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine?
The IUPAC name of 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine (CID 134939738) is 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine.
What is the SMILES notation for 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine?
The canonical SMILES for 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine is CC(C)[C@@H]1CN(c2ccccc2)C(c2cccc(C3=N[C@H](C(C)C)CN3c3ccccc3)n2)=N1.
What is the InChIKey of 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine?
The InChIKey is MIPATOQSJSJHKK-SVBPBHIXSA-N. The full InChI is InChI=1S/C29H33N5/c1-20(2)26-18-33(22-12-7-5-8-13-22)28(31-26)24-16-11-17-25(30-24)29-32-27(21(3)4)19-34(29)23-14-9-6-10-15-23/h5-17,20-21,26-27H,18-19H2,1-4H3/t26-,27-/m0/s1.
What are the key properties of 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine?
2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine has a molecular weight of 451.62 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4R)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]pyridine is sourced from PubChem (CID 134939738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).