[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine

C21H17FN4 — CID 10450182

IUPAC[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H17FN4/c22-18-7-5-15(6-8-18)19-20(16-9-11-24-12-10-16)26-21(25-19)17-3-1-14(13-23)2-4-17/h1-12H,13,23H2,(H,25,26)
InChIKeyPVLYSMBPXOBMBW-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.40
Rot. Bonds4

About [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine

[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine (PubChem CID 10450182) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine
PubChem CID10450182
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H17FN4/c22-18-7-5-15(6-8-18)19-20(16-9-11-24-12-10-16)26-21(25-19)17-3-1-14(13-23)2-4-17/h1-12H,13,23H2,(H,25,26)
InChIKeyPVLYSMBPXOBMBW-UHFFFAOYSA-N
XLogP4.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine (CID 10450182) is [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine is NCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine?
The InChIKey is PVLYSMBPXOBMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c22-18-7-5-15(6-8-18)19-20(16-9-11-24-12-10-16)26-21(25-19)17-3-1-14(13-23)2-4-17/h1-12H,13,23H2,(H,25,26).
What are the key properties of [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine?
[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine has a molecular weight of 344.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 10450182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).