(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole

C38H34N4 — CID 155748391

IUPAC(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole
SMILESC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1Cc1cccc(CC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C38H34N4/c1-5-16-30(17-6-1)35-36(31-18-7-2-8-19-31)41-34(40-35)25-28-14-13-15-29(24-28)26-42-27-39-37(32-20-9-3-10-21-32)38(42)33-22-11-4-12-23-33/h1-24,27,35-38H,25-26H2,(H,40,41)/t35-,36-,37-,38-/m0/s1
InChIKeyFSPRPLXLWONFOS-ZQWQDMLBSA-N
MW546.72 g/mol
LogP8.04
Rot. Bonds8

About (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole

(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole (PubChem CID 155748391) has the molecular formula C38H34N4 and a molecular weight of 546.72 g/mol. Its IUPAC name is (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole
PubChem CID155748391
Molecular FormulaC38H34N4
Molecular Weight546.72 g/mol
Exact Mass546.28
IUPAC Name(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole
SMILESC1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1Cc1cccc(CC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C38H34N4/c1-5-16-30(17-6-1)35-36(31-18-7-2-8-19-31)41-34(40-35)25-28-14-13-15-29(24-28)26-42-27-39-37(32-20-9-3-10-21-32)38(42)33-22-11-4-12-23-33/h1-24,27,35-38H,25-26H2,(H,40,41)/t35-,36-,37-,38-/m0/s1
InChIKeyFSPRPLXLWONFOS-ZQWQDMLBSA-N
XLogP8.04
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.72
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole?
The IUPAC name of (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole (CID 155748391) is (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole.
What is the SMILES notation for (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole?
The canonical SMILES for (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole is C1=N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1Cc1cccc(CC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c1.
What is the InChIKey of (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole?
The InChIKey is FSPRPLXLWONFOS-ZQWQDMLBSA-N. The full InChI is InChI=1S/C38H34N4/c1-5-16-30(17-6-1)35-36(31-18-7-2-8-19-31)41-34(40-35)25-28-14-13-15-29(24-28)26-42-27-39-37(32-20-9-3-10-21-32)38(42)33-22-11-4-12-23-33/h1-24,27,35-38H,25-26H2,(H,40,41)/t35-,36-,37-,38-/m0/s1.
What are the key properties of (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole?
(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole has a molecular weight of 546.72 g/mol, XLogP of 8.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole is sourced from PubChem (CID 155748391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).