2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline

C25H20FN5 — CID 44546067

IUPAC2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(N)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H20FN5/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-19(26)20(27)12-16/h2-12,14H,13,27H2,1H3,(H,30,31)
InChIKeyCTBNRVKKTIVRMA-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.31
Rot. Bonds4

About 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline

2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline (PubChem CID 44546067) has the molecular formula C25H20FN5 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline
PubChem CID44546067
Molecular FormulaC25H20FN5
Molecular Weight409.47 g/mol
Exact Mass409.17
IUPAC Name2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(N)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C25H20FN5/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-19(26)20(27)12-16/h2-12,14H,13,27H2,1H3,(H,30,31)
InChIKeyCTBNRVKKTIVRMA-UHFFFAOYSA-N
XLogP5.31
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline (CID 44546067) is 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(N)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline?
The InChIKey is CTBNRVKKTIVRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5/c1-15-4-2-6-22(29-15)25-24(18-8-10-21-17(14-18)5-3-11-28-21)30-23(31-25)13-16-7-9-19(26)20(27)12-16/h2-12,14H,13,27H2,1H3,(H,30,31).
What are the key properties of 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline?
2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 409.47 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 44546067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).