6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine

C22H19FN4 — CID 133287760

IUPAC6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine
SMILESFc1cccc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1
InChIInChI=1S/C22H19FN4/c23-21-6-3-7-22(26-21)25-14-19-4-1-2-5-20(19)18-10-8-17(9-11-18)15-27-13-12-24-16-27/h1-13,16H,14-15H2,(H,25,26)
InChIKeyKXQRSQRAIIFWLI-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.74
Rot. Bonds6

About 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine

6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine (PubChem CID 133287760) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine
PubChem CID133287760
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine
SMILESFc1cccc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1
InChIInChI=1S/C22H19FN4/c23-21-6-3-7-22(26-21)25-14-19-4-1-2-5-20(19)18-10-8-17(9-11-18)15-27-13-12-24-16-27/h1-13,16H,14-15H2,(H,25,26)
InChIKeyKXQRSQRAIIFWLI-UHFFFAOYSA-N
XLogP4.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine (CID 133287760) is 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine is Fc1cccc(NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)n1.
What is the InChIKey of 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine?
The InChIKey is KXQRSQRAIIFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c23-21-6-3-7-22(26-21)25-14-19-4-1-2-5-20(19)18-10-8-17(9-11-18)15-27-13-12-24-16-27/h1-13,16H,14-15H2,(H,25,26).
What are the key properties of 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine?
6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine has a molecular weight of 358.42 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 133287760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).