N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline

C22H18FN3 — CID 166247503

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
SMILESFc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1-n1ccnc1
InChIInChI=1S/C22H18FN3/c23-21-14-17(6-11-22(21)26-13-12-24-16-26)15-25-20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-14,16,25H,15H2
InChIKeyHFMZHCNTXLKAQN-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.29
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline (PubChem CID 166247503) has the molecular formula C22H18FN3 and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
PubChem CID166247503
Molecular FormulaC22H18FN3
Molecular Weight343.41 g/mol
Exact Mass343.15
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
SMILESFc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1-n1ccnc1
InChIInChI=1S/C22H18FN3/c23-21-14-17(6-11-22(21)26-13-12-24-16-26)15-25-20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-14,16,25H,15H2
InChIKeyHFMZHCNTXLKAQN-UHFFFAOYSA-N
XLogP5.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 47983114
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 47983158
2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
CID 86904564
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
CID 86893244
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362379
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline (CID 166247503) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline is Fc1cc(CNc2ccc(-c3ccccc3)cc2)ccc1-n1ccnc1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline?
The InChIKey is HFMZHCNTXLKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3/c23-21-14-17(6-11-22(21)26-13-12-24-16-26)15-25-20-9-7-19(8-10-20)18-4-2-1-3-5-18/h1-14,16,25H,15H2.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline has a molecular weight of 343.41 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline is sourced from PubChem (CID 166247503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).