4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline

C28H23ClN4 — CID 72546779

IUPAC4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline
SMILESClc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccncc1
InChIInChI=1S/C28H23ClN4/c29-28-11-10-25(16-27(28)24-12-14-30-15-13-24)32-18-26-17-31-20-33(26)19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-17,20,32H,18-19H2
InChIKeyZELZNHGGXYVKIR-UHFFFAOYSA-N
MW450.97 g/mol
LogP6.93
Rot. Bonds7

About 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline

4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline (PubChem CID 72546779) has the molecular formula C28H23ClN4 and a molecular weight of 450.97 g/mol. Its IUPAC name is 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline.

Molecular Properties

Compound Name4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline
PubChem CID72546779
Molecular FormulaC28H23ClN4
Molecular Weight450.97 g/mol
Exact Mass450.16
IUPAC Name4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline
SMILESClc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccncc1
InChIInChI=1S/C28H23ClN4/c29-28-11-10-25(16-27(28)24-12-14-30-15-13-24)32-18-26-17-31-20-33(26)19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-17,20,32H,18-19H2
InChIKeyZELZNHGGXYVKIR-UHFFFAOYSA-N
XLogP6.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.97
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline?
The IUPAC name of 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline (CID 72546779) is 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline.
What is the SMILES notation for 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline?
The canonical SMILES for 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline is Clc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccncc1.
What is the InChIKey of 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline?
The InChIKey is ZELZNHGGXYVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4/c29-28-11-10-25(16-27(28)24-12-14-30-15-13-24)32-18-26-17-31-20-33(26)19-21-6-8-23(9-7-21)22-4-2-1-3-5-22/h1-17,20,32H,18-19H2.
What are the key properties of 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline?
4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline has a molecular weight of 450.97 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-pyridin-4-ylaniline is sourced from PubChem (CID 72546779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).