(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole

C40H38N4 — CID 102382995

IUPAC(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole
SMILESCc1ccc(N2C[C@H](Cc3ccccc3)N=C2c2cccc(C3=N[C@@H](Cc4ccccc4)CN3c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C40H38N4/c1-29-16-20-37(21-17-29)43-27-35(24-31-10-5-3-6-11-31)41-39(43)33-14-9-15-34(26-33)40-42-36(25-32-12-7-4-8-13-32)28-44(40)38-22-18-30(2)19-23-38/h3-23,26,35-36H,24-25,27-28H2,1-2H3/t35-,36-/m0/s1
InChIKeyHUMIWQDHHIBHAZ-ZPGRZCPFSA-N
MW574.77 g/mol
LogP8.06
Rot. Bonds8

About (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole

(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole (PubChem CID 102382995) has the molecular formula C40H38N4 and a molecular weight of 574.77 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole
PubChem CID102382995
Molecular FormulaC40H38N4
Molecular Weight574.77 g/mol
Exact Mass574.31
IUPAC Name(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole
SMILESCc1ccc(N2C[C@H](Cc3ccccc3)N=C2c2cccc(C3=N[C@@H](Cc4ccccc4)CN3c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C40H38N4/c1-29-16-20-37(21-17-29)43-27-35(24-31-10-5-3-6-11-31)41-39(43)33-14-9-15-34(26-33)40-42-36(25-32-12-7-4-8-13-32)28-44(40)38-22-18-30(2)19-23-38/h3-23,26,35-36H,24-25,27-28H2,1-2H3/t35-,36-/m0/s1
InChIKeyHUMIWQDHHIBHAZ-ZPGRZCPFSA-N
XLogP8.06
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole?
The IUPAC name of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole (CID 102382995) is (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole.
What is the SMILES notation for (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole?
The canonical SMILES for (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole is Cc1ccc(N2C[C@H](Cc3ccccc3)N=C2c2cccc(C3=N[C@@H](Cc4ccccc4)CN3c3ccc(C)cc3)c2)cc1.
What is the InChIKey of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole?
The InChIKey is HUMIWQDHHIBHAZ-ZPGRZCPFSA-N. The full InChI is InChI=1S/C40H38N4/c1-29-16-20-37(21-17-29)43-27-35(24-31-10-5-3-6-11-31)41-39(43)33-14-9-15-34(26-33)40-42-36(25-32-12-7-4-8-13-32)28-44(40)38-22-18-30(2)19-23-38/h3-23,26,35-36H,24-25,27-28H2,1-2H3/t35-,36-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole?
(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole has a molecular weight of 574.77 g/mol, XLogP of 8.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]phenyl]-1-(4-methylphenyl)-4,5-dihydroimidazole is sourced from PubChem (CID 102382995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).