2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline

C22H21N3 — CID 156775599

IUPAC2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline
SMILESNc1ccccc1C1=N[C@@H](Cc2ccccc2)CN1c1ccccc1
InChIInChI=1S/C22H21N3/c23-21-14-8-7-13-20(21)22-24-18(15-17-9-3-1-4-10-17)16-25(22)19-11-5-2-6-12-19/h1-14,18H,15-16,23H2/t18-/m0/s1
InChIKeyDHJKNEDFUCUITA-SFHVURJKSA-N
MW327.43 g/mol
LogP4.15
Rot. Bonds4

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

2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline (PubChem CID 156775599) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline
PubChem CID156775599
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline
SMILESNc1ccccc1C1=N[C@@H](Cc2ccccc2)CN1c1ccccc1
InChIInChI=1S/C22H21N3/c23-21-14-8-7-13-20(21)22-24-18(15-17-9-3-1-4-10-17)16-25(22)19-11-5-2-6-12-19/h1-14,18H,15-16,23H2/t18-/m0/s1
InChIKeyDHJKNEDFUCUITA-SFHVURJKSA-N
XLogP4.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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T0501-0864
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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline?
The IUPAC name of 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline (CID 156775599) is 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline.
What is the SMILES notation for 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline?
The canonical SMILES for 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline is Nc1ccccc1C1=N[C@@H](Cc2ccccc2)CN1c1ccccc1.
What is the InChIKey of 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline?
The InChIKey is DHJKNEDFUCUITA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N3/c23-21-14-8-7-13-20(21)22-24-18(15-17-9-3-1-4-10-17)16-25(22)19-11-5-2-6-12-19/h1-14,18H,15-16,23H2/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline?
2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline has a molecular weight of 327.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-1-phenyl-4,5-dihydroimidazol-2-yl]aniline is sourced from PubChem (CID 156775599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).