4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline

C29H23F2N3 — CID 72547302

IUPAC4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
SMILESFc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C29H23F2N3/c30-28-14-13-25(16-27(28)22-9-5-2-6-10-22)33-18-26-17-32-20-34(26)19-24-12-11-23(15-29(24)31)21-7-3-1-4-8-21/h1-17,20,33H,18-19H2
InChIKeyZFSZRXGQWLVZST-UHFFFAOYSA-N
MW451.52 g/mol
LogP7.16
Rot. Bonds7

About 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline

4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline (PubChem CID 72547302) has the molecular formula C29H23F2N3 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline.

Molecular Properties

Compound Name4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
PubChem CID72547302
Molecular FormulaC29H23F2N3
Molecular Weight451.52 g/mol
Exact Mass451.19
IUPAC Name4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
SMILESFc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C29H23F2N3/c30-28-14-13-25(16-27(28)22-9-5-2-6-10-22)33-18-26-17-32-20-34(26)19-24-12-11-23(15-29(24)31)21-7-3-1-4-8-21/h1-17,20,33H,18-19H2
InChIKeyZFSZRXGQWLVZST-UHFFFAOYSA-N
XLogP7.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
The IUPAC name of 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline (CID 72547302) is 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline.
What is the SMILES notation for 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
The canonical SMILES for 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline is Fc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1.
What is the InChIKey of 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
The InChIKey is ZFSZRXGQWLVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N3/c30-28-14-13-25(16-27(28)22-9-5-2-6-10-22)33-18-26-17-32-20-34(26)19-24-12-11-23(15-29(24)31)21-7-3-1-4-8-21/h1-17,20,33H,18-19H2.
What are the key properties of 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline has a molecular weight of 451.52 g/mol, XLogP of 7.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[3-[(2-fluoro-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline is sourced from PubChem (CID 72547302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).