4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine

C20H16FN5 — CID 171344500

IUPAC4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C20H16FN5/c21-15-3-1-13(2-4-15)19-20(25-12-24-19)14-9-10-23-18(11-14)26-17-7-5-16(22)6-8-17/h1-12H,22H2,(H,23,26)(H,24,25)
InChIKeyCGNKYRTVBHREGA-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.60
Rot. Bonds4

About 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine

4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine (PubChem CID 171344500) has the molecular formula C20H16FN5 and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine
PubChem CID171344500
Molecular FormulaC20H16FN5
Molecular Weight345.38 g/mol
Exact Mass345.14
IUPAC Name4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C20H16FN5/c21-15-3-1-13(2-4-15)19-20(25-12-24-19)14-9-10-23-18(11-14)26-17-7-5-16(22)6-8-17/h1-12H,22H2,(H,23,26)(H,24,25)
InChIKeyCGNKYRTVBHREGA-UHFFFAOYSA-N
XLogP4.60
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine 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-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine (CID 171344500) is 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine is Nc1ccc(Nc2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine?
The InChIKey is CGNKYRTVBHREGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5/c21-15-3-1-13(2-4-15)19-20(25-12-24-19)14-9-10-23-18(11-14)26-17-7-5-16(22)6-8-17/h1-12H,22H2,(H,23,26)(H,24,25).
What are the key properties of 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine?
4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine has a molecular weight of 345.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]benzene-1,4-diamine is sourced from PubChem (CID 171344500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).