[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten

C29H31N4OW- — CID 59792650

IUPAC[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten
SMILESCc1ccc(C2N=C(c3ccccc3C)N(C(=O)N3CC[N-]CC3)C2c2ccc(C)cc2)cc1.[W]
InChIInChI=1S/C29H31N4O.W/c1-20-8-12-23(13-9-20)26-27(24-14-10-21(2)11-15-24)33(29(34)32-18-16-30-17-19-32)28(31-26)25-7-5-4-6-22(25)3;/h4-15,26-27H,16-19H2,1-3H3;/q-1;
InChIKeyPDEUIKAYSFWMCH-UHFFFAOYSA-N
MW635.43 g/mol
LogP5.96
Rot. Bonds3

About [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten

[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten (PubChem CID 59792650) has the molecular formula C29H31N4OW- and a molecular weight of 635.43 g/mol. Its IUPAC name is [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten.

Molecular Properties

Compound Name[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten
PubChem CID59792650
Molecular FormulaC29H31N4OW-
Molecular Weight635.43 g/mol
Exact Mass635.20
IUPAC Name[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten
SMILESCc1ccc(C2N=C(c3ccccc3C)N(C(=O)N3CC[N-]CC3)C2c2ccc(C)cc2)cc1.[W]
InChIInChI=1S/C29H31N4O.W/c1-20-8-12-23(13-9-20)26-27(24-14-10-21(2)11-15-24)33(29(34)32-18-16-30-17-19-32)28(31-26)25-7-5-4-6-22(25)3;/h4-15,26-27H,16-19H2,1-3H3;/q-1;
InChIKeyPDEUIKAYSFWMCH-UHFFFAOYSA-N
XLogP5.96
TPSA50.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.43
LogP ≤ 55.96
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]-piperazin-4-id-1-ylmethanone;tungsten?
The IUPAC name of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten (CID 59792650) is [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten.
What is the SMILES notation for [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten?
The canonical SMILES for [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten is Cc1ccc(C2N=C(c3ccccc3C)N(C(=O)N3CC[N-]CC3)C2c2ccc(C)cc2)cc1.[W].
What is the InChIKey of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten?
The InChIKey is PDEUIKAYSFWMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N4O.W/c1-20-8-12-23(13-9-20)26-27(24-14-10-21(2)11-15-24)33(29(34)32-18-16-30-17-19-32)28(31-26)25-7-5-4-6-22(25)3;/h4-15,26-27H,16-19H2,1-3H3;/q-1;.
What are the key properties of [2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten?
[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten has a molecular weight of 635.43 g/mol, XLogP of 5.96, 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]-piperazin-4-id-1-ylmethanone;tungsten is sourced from PubChem (CID 59792650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).