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

C34H40F3N3O — CID 91324978

IUPAC(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCC1CCN(C(=O)N2C(c3ccccc3C)=NC(c3ccc(C)cc3)C2c2ccc(C)cc2)CC1
InChIInChI=1S/C32H37N3O.C2H3F3/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;1-2(3,4)5/h6-17,25,29-30H,5,18-21H2,1-4H3;1H3
InChIKeyLRWSAVDKJZVASG-UHFFFAOYSA-N
MW563.71 g/mol
LogP8.97
Rot. Bonds4

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

(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane (PubChem CID 91324978) has the molecular formula C34H40F3N3O and a molecular weight of 563.71 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane
PubChem CID91324978
Molecular FormulaC34H40F3N3O
Molecular Weight563.71 g/mol
Exact Mass563.31
IUPAC Name(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCC1CCN(C(=O)N2C(c3ccccc3C)=NC(c3ccc(C)cc3)C2c2ccc(C)cc2)CC1
InChIInChI=1S/C32H37N3O.C2H3F3/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;1-2(3,4)5/h6-17,25,29-30H,5,18-21H2,1-4H3;1H3
InChIKeyLRWSAVDKJZVASG-UHFFFAOYSA-N
XLogP8.97
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.71
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone
CID 59792819
[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperidin-1-ylmethanone
CID 59792793
[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-4-id-1-ylmethanone;tungsten
CID 59792650
[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(bromomethyl)piperidin-1-yl]methanone
CID 86595530
4-[(4R,5S)-4,5-bis(4-methylphenyl)-2-(2,3,4,5,6-pentamethylphenyl)-4,5-dihydroimidazole-1-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 59087902
1-[4-[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-chloroethanone
CID 86595529
2-chloro-4-ethoxy-5-[(4S,5R)-5-(4-iodophenyl)-4-(4-methylphenyl)-1-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]-4,5-dihydroimidazol-2-yl]benzenesulfonamide
CID 70985910
[4-[(4S,5R)-2-[4-tert-butyl-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 11693477
2-[4-[(4S,5R)-2-(2-tert-butyl-4-ethoxypyrimidin-5-yl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 24775243
1-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 11707473
[2-(4-chloro-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 22720972
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-diethoxyphenyl)-4,5-dihydroimidazol-1-yl]-morpholin-4-ylmethanone
CID 10218494

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;1,1,1-trifluoroethane?
The IUPAC name of (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane (CID 91324978) is (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane?
The canonical SMILES for (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane is CC(F)(F)F.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;1,1,1-trifluoroethane?
The InChIKey is LRWSAVDKJZVASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O.C2H3F3/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;1-2(3,4)5/h6-17,25,29-30H,5,18-21H2,1-4H3;1H3.
What are the key properties of (4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane?
(4-ethylpiperidin-1-yl)-[2-(2-methylphenyl)-4,5-bis(4-methylphenyl)-4,5-dihydroimidazol-1-yl]methanone;1,1,1-trifluoroethane has a molecular weight of 563.71 g/mol, XLogP of 8.97, 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;1,1,1-trifluoroethane is sourced from PubChem (CID 91324978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).