2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol

C23H22N2O — CID 59655379

IUPAC2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol
SMILESOC(CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C23H22N2O/c26-20(17-10-4-1-5-11-17)16-21-24-22(18-12-6-2-7-13-18)23(25-21)19-14-8-3-9-15-19/h1-15,20,22-23,26H,16H2,(H,24,25)/t20?,22-,23+
InChIKeyCWQCCNVQWKIONV-BRTIRZTQSA-N
MW342.44 g/mol
LogP4.59
Rot. Bonds5

About 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol

2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol (PubChem CID 59655379) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol
PubChem CID59655379
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol
SMILESOC(CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C23H22N2O/c26-20(17-10-4-1-5-11-17)16-21-24-22(18-12-6-2-7-13-18)23(25-21)19-14-8-3-9-15-19/h1-15,20,22-23,26H,16H2,(H,24,25)/t20?,22-,23+
InChIKeyCWQCCNVQWKIONV-BRTIRZTQSA-N
XLogP4.59
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol?
The IUPAC name of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol (CID 59655379) is 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol is OC(CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1)c1ccccc1.
What is the InChIKey of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol?
The InChIKey is CWQCCNVQWKIONV-BRTIRZTQSA-N. The full InChI is InChI=1S/C23H22N2O/c26-20(17-10-4-1-5-11-17)16-21-24-22(18-12-6-2-7-13-18)23(25-21)19-14-8-3-9-15-19/h1-15,20,22-23,26H,16H2,(H,24,25)/t20?,22-,23+.
What are the key properties of 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol?
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol has a molecular weight of 342.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol is sourced from PubChem (CID 59655379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).