(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone

C32H37N3O — CID 59792819

IUPAC(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCCC1CCN(C(=O)N2C(c3ccccc3C)=NC(c3ccc(C)cc3)C2c2ccc(C)cc2)CC1
InChIInChI=1S/C32H37N3O/c1-5-25-18-20-34(21-19-25)32(36)35-30(27-16-12-23(3)13-17-27)29(26-14-10-22(2)11-15-26)33-31(35)28-9-7-6-8-24(28)4/h6-17,25,29-30H,5,18-21H2,1-4H3
InChIKeyIRZZXIZFZRWLKM-UHFFFAOYSA-N
MW479.67 g/mol
LogP7.40
Rot. Bonds4

About (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone

(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 59792819) has the molecular formula C32H37N3O and a molecular weight of 479.67 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID59792819
Molecular FormulaC32H37N3O
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Name(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCCC1CCN(C(=O)N2C(c3ccccc3C)=NC(c3ccc(C)cc3)C2c2ccc(C)cc2)CC1
InChIInChI=1S/C32H37N3O/c1-5-25-18-20-34(21-19-25)32(36)35-30(27-16-12-23(3)13-17-27)29(26-14-10-22(2)11-15-26)33-31(35)28-9-7-6-8-24(28)4/h6-17,25,29-30H,5,18-21H2,1-4H3
InChIKeyIRZZXIZFZRWLKM-UHFFFAOYSA-N
XLogP7.40
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone (CID 59792819) is (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone is CCC1CCN(C(=O)N2C(c3ccccc3C)=NC(c3ccc(C)cc3)C2c2ccc(C)cc2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is IRZZXIZFZRWLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O/c1-5-25-18-20-34(21-19-25)32(36)35-30(27-16-12-23(3)13-17-27)29(26-14-10-22(2)11-15-26)33-31(35)28-9-7-6-8-24(28)4/h6-17,25,29-30H,5,18-21H2,1-4H3.
What are the key properties of (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone?
(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 479.67 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 59792819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).