(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole

C23H22N2 — CID 10592398

IUPAC(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole
SMILES[2H]N1C(C([2H])(C)c2ccccc2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2/c1-17(18-11-5-2-6-12-18)23-24-21(19-13-7-3-8-14-19)22(25-23)20-15-9-4-10-16-20/h2-17,21-22H,1H3,(H,24,25)/t17?,21-,22-/m0/s1/i17D/hD
InChIKeySYOMLUWBQUSTCX-RMERKKBQSA-N
MW328.46 g/mol
LogP5.27
Rot. Bonds4

About (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole

(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole (PubChem CID 10592398) has the molecular formula C23H22N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole
PubChem CID10592398
Molecular FormulaC23H22N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole
SMILES[2H]N1C(C([2H])(C)c2ccccc2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C23H22N2/c1-17(18-11-5-2-6-12-18)23-24-21(19-13-7-3-8-14-19)22(25-23)20-15-9-4-10-16-20/h2-17,21-22H,1H3,(H,24,25)/t17?,21-,22-/m0/s1/i17D/hD
InChIKeySYOMLUWBQUSTCX-RMERKKBQSA-N
XLogP5.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68566282
(4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)methanediol
CID 91515506
2-[1-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl]pyridine
CID 68568343
(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
CID 11795470
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol
CID 59655379
(4S,5R)-2-[1-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68569841
2-phenyl-3-propan-2-ylazetidine
CID 66350091
2-benzyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68573876
(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 91220935
(4S,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 131848223
(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 59655396
(4R,5R)-2-cyclohexyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 102198802

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole (CID 10592398) is (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole is [2H]N1C(C([2H])(C)c2ccccc2)=N[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is SYOMLUWBQUSTCX-RMERKKBQSA-N. The full InChI is InChI=1S/C23H22N2/c1-17(18-11-5-2-6-12-18)23-24-21(19-13-7-3-8-14-19)22(25-23)20-15-9-4-10-16-20/h2-17,21-22H,1H3,(H,24,25)/t17?,21-,22-/m0/s1/i17D/hD.
What are the key properties of (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole?
(4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 328.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-deuterio-2-(1-deuterio-1-phenylethyl)-4,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 10592398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).