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

C32H30N4S — CID 91220935

IUPAC(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2NC(CSCC3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H30N4S/c1-5-13-23(14-6-1)29-30(24-15-7-2-8-16-24)34-27(33-29)21-37-22-28-35-31(25-17-9-3-10-18-25)32(36-28)26-19-11-4-12-20-26/h1-20,29-32H,21-22H2,(H,33,34)(H,35,36)/t29-,30+,31-,32+
InChIKeyFJXNTAJRRYIQCP-HRDPQUPSSA-N
MW502.69 g/mol
LogP6.69
Rot. Bonds8

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

(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 91220935) has the molecular formula C32H30N4S and a molecular weight of 502.69 g/mol. Its IUPAC name is (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID91220935
Molecular FormulaC32H30N4S
Molecular Weight502.69 g/mol
Exact Mass502.22
IUPAC Name(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESc1ccc([C@H]2NC(CSCC3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3)=N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H30N4S/c1-5-13-23(14-6-1)29-30(24-15-7-2-8-16-24)34-27(33-29)21-37-22-28-35-31(25-17-9-3-10-18-25)32(36-28)26-19-11-4-12-20-26/h1-20,29-32H,21-22H2,(H,33,34)(H,35,36)/t29-,30+,31-,32+
InChIKeyFJXNTAJRRYIQCP-HRDPQUPSSA-N
XLogP6.69
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.69
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole with MolForge

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Related Compounds

2-benzyl-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68573876
(4S,5R)-4,5-diphenyl-2-(phenylsulfanylmethyl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 68568371
(4S,5R)-4,5-diphenyl-2-(2-phenylethyl)-4,5-dihydro-1H-imidazole
CID 59655396
(4R,5S)-2-[(2,6-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68568336
2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1-phenylethanol
CID 59655379
(4R,5S)-2-[(2-methoxyphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68568247
N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]-1-phenylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87499485
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole;2,2,2-trifluoroacetic acid
CID 11294313
2-[(2,4-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68568526
(4R,5S)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11371356
2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567393
(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567391

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (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) is (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is c1ccc([C@H]2NC(CSCC3=N[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3)=N[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is FJXNTAJRRYIQCP-HRDPQUPSSA-N. The full InChI is InChI=1S/C32H30N4S/c1-5-13-23(14-6-1)29-30(24-15-7-2-8-16-24)34-27(33-29)21-37-22-28-35-31(25-17-9-3-10-18-25)32(36-28)26-19-11-4-12-20-26/h1-20,29-32H,21-22H2,(H,33,34)(H,35,36)/t29-,30+,31-,32+.
What are the key properties of (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 502.69 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[[(4S,5R)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methylsulfanylmethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 91220935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).