[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone

C30H33N3O — CID 59792793

IUPAC[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C2N=C(c3ccccc3C)N(C(=O)N3CCCCC3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C30H33N3O/c1-21-11-15-24(16-12-21)27-28(25-17-13-22(2)14-18-25)33(30(34)32-19-7-4-8-20-32)29(31-27)26-10-6-5-9-23(26)3/h5-6,9-18,27-28H,4,7-8,19-20H2,1-3H3
InChIKeyPFROYYUXTHKGND-UHFFFAOYSA-N
MW451.61 g/mol
LogP6.76
Rot. Bonds3

About [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone

[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone (PubChem CID 59792793) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone
PubChem CID59792793
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C2N=C(c3ccccc3C)N(C(=O)N3CCCCC3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C30H33N3O/c1-21-11-15-24(16-12-21)27-28(25-17-13-22(2)14-18-25)33(30(34)32-19-7-4-8-20-32)29(31-27)26-10-6-5-9-23(26)3/h5-6,9-18,27-28H,4,7-8,19-20H2,1-3H3
InChIKeyPFROYYUXTHKGND-UHFFFAOYSA-N
XLogP6.76
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone (CID 59792793) is [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone is Cc1ccc(C2N=C(c3ccccc3C)N(C(=O)N3CCCCC3)C2c2ccc(C)cc2)cc1.
What is the InChIKey of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone?
The InChIKey is PFROYYUXTHKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c1-21-11-15-24(16-12-21)27-28(25-17-13-22(2)14-18-25)33(30(34)32-19-7-4-8-20-32)29(31-27)26-10-6-5-9-23(26)3/h5-6,9-18,27-28H,4,7-8,19-20H2,1-3H3.
What are the key properties of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone?
[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone has a molecular weight of 451.61 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 59792793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).