4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline

C27H22N4 — CID 70683112

IUPAC4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)cc1
InChIInChI=1S/C27H22N4/c1-3-7-24(8-4-1)31(25-9-5-2-6-10-25)26-14-12-23(13-15-26)27-16-11-22(19-29-27)20-30-18-17-28-21-30/h1-19,21H,20H2
InChIKeyWRBQZTNJBFTNGV-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.46
Rot. Bonds6

About 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline

4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline (PubChem CID 70683112) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline
PubChem CID70683112
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)cc1
InChIInChI=1S/C27H22N4/c1-3-7-24(8-4-1)31(25-9-5-2-6-10-25)26-14-12-23(13-15-26)27-16-11-22(19-29-27)20-30-18-17-28-21-30/h1-19,21H,20H2
InChIKeyWRBQZTNJBFTNGV-UHFFFAOYSA-N
XLogP6.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline?
The IUPAC name of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline (CID 70683112) is 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(Cn4ccnc4)cn3)cc2)cc1.
What is the InChIKey of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline?
The InChIKey is WRBQZTNJBFTNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4/c1-3-7-24(8-4-1)31(25-9-5-2-6-10-25)26-14-12-23(13-15-26)27-16-11-22(19-29-27)20-30-18-17-28-21-30/h1-19,21H,20H2.
What are the key properties of 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline?
4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline has a molecular weight of 402.50 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-N,N-diphenylaniline is sourced from PubChem (CID 70683112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).