3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile

C26H19N5 — CID 46871780

IUPAC3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19N5/c1-17-5-2-9-23(29-17)26-25(21-10-11-22-20(15-21)8-4-12-28-22)30-24(31-26)14-18-6-3-7-19(13-18)16-27/h2-13,15H,14H2,1H3,(H,30,31)
InChIKeyBKQOLNVCOGHSPG-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.46
Rot. Bonds4

About 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile

3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile (PubChem CID 46871780) has the molecular formula C26H19N5 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
PubChem CID46871780
Molecular FormulaC26H19N5
Molecular Weight401.47 g/mol
Exact Mass401.16
IUPAC Name3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19N5/c1-17-5-2-9-23(29-17)26-25(21-10-11-22-20(15-21)8-4-12-28-22)30-24(31-26)14-18-6-3-7-19(13-18)16-27/h2-13,15H,14H2,1H3,(H,30,31)
InChIKeyBKQOLNVCOGHSPG-UHFFFAOYSA-N
XLogP5.46
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?
The IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile (CID 46871780) is 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile is Cc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?
The InChIKey is BKQOLNVCOGHSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5/c1-17-5-2-9-23(29-17)26-25(21-10-11-22-20(15-21)8-4-12-28-22)30-24(31-26)14-18-6-3-7-19(13-18)16-27/h2-13,15H,14H2,1H3,(H,30,31).
What are the key properties of 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile?
3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile has a molecular weight of 401.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile is sourced from PubChem (CID 46871780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).