(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine

C28H25N3 — CID 11795470

IUPAC(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C(NC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1
InChIInChI=1S/C28H25N3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)29-28-30-26(23-17-9-3-10-18-23)27(31-28)24-19-11-4-12-20-24/h1-20,25-27H,(H2,29,30,31)/t26-,27-/m0/s1
InChIKeyPXLTXOFSLFDTNZ-SVBPBHIXSA-N
MW403.53 g/mol
LogP5.81
Rot. Bonds5

About (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine

(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11795470) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11795470
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC Name(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C(NC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1
InChIInChI=1S/C28H25N3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)29-28-30-26(23-17-9-3-10-18-23)27(31-28)24-19-11-4-12-20-24/h1-20,25-27H,(H2,29,30,31)/t26-,27-/m0/s1
InChIKeyPXLTXOFSLFDTNZ-SVBPBHIXSA-N
XLogP5.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine (CID 11795470) is (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine is c1ccc(C(NC2=N[C@@H](c3ccccc3)[C@H](c3ccccc3)N2)c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PXLTXOFSLFDTNZ-SVBPBHIXSA-N. The full InChI is InChI=1S/C28H25N3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)29-28-30-26(23-17-9-3-10-18-23)27(31-28)24-19-11-4-12-20-24/h1-20,25-27H,(H2,29,30,31)/t26-,27-/m0/s1.
What are the key properties of (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine?
(4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 403.53 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-benzhydryl-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11795470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).