N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline

C24H23N3 — CID 504428

IUPACN-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
SMILESCc1ccc(Cn2cncc2CNc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3/c1-19-10-12-20(13-11-19)17-27-18-25-15-24(27)16-26-23-9-5-8-22(14-23)21-6-3-2-4-7-21/h2-15,18,26H,16-17H2,1H3
InChIKeyFEPOHPMQAOEQFU-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.52
Rot. Bonds6

About N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline

N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline (PubChem CID 504428) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline.

Molecular Properties

Compound NameN-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
PubChem CID504428
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC NameN-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
SMILESCc1ccc(Cn2cncc2CNc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H23N3/c1-19-10-12-20(13-11-19)17-27-18-25-15-24(27)16-26-23-9-5-8-22(14-23)21-6-3-2-4-7-21/h2-15,18,26H,16-17H2,1H3
InChIKeyFEPOHPMQAOEQFU-UHFFFAOYSA-N
XLogP5.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
The IUPAC name of N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline (CID 504428) is N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline.
What is the SMILES notation for N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
The canonical SMILES for N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline is Cc1ccc(Cn2cncc2CNc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
The InChIKey is FEPOHPMQAOEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-19-10-12-20(13-11-19)17-27-18-25-15-24(27)16-26-23-9-5-8-22(14-23)21-6-3-2-4-7-21/h2-15,18,26H,16-17H2,1H3.
What are the key properties of N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline?
N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline has a molecular weight of 353.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline is sourced from PubChem (CID 504428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).