N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline

C24H24FN3 — CID 57283472

IUPACN-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(N(CC2=NCCN2Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H24FN3/c25-22-11-13-23(14-12-22)28(18-21-9-5-2-6-10-21)19-24-26-15-16-27(24)17-20-7-3-1-4-8-20/h1-14H,15-19H2
InChIKeyMGLAVKIQLHLDOZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.75
Rot. Bonds7

About N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline

N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline (PubChem CID 57283472) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline
PubChem CID57283472
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC NameN-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(N(CC2=NCCN2Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H24FN3/c25-22-11-13-23(14-12-22)28(18-21-9-5-2-6-10-21)19-24-26-15-16-27(24)17-20-7-3-1-4-8-20/h1-14H,15-19H2
InChIKeyMGLAVKIQLHLDOZ-UHFFFAOYSA-N
XLogP4.75
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline (CID 57283472) is N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline is Fc1ccc(N(CC2=NCCN2Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline?
The InChIKey is MGLAVKIQLHLDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3/c25-22-11-13-23(14-12-22)28(18-21-9-5-2-6-10-21)19-24-26-15-16-27(24)17-20-7-3-1-4-8-20/h1-14H,15-19H2.
What are the key properties of N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline?
N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline has a molecular weight of 373.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-benzyl-4,5-dihydroimidazol-2-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 57283472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).