2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile

C17H20N4 — CID 107802244

IUPAC2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
SMILESCc1cccc(-n2cncc2C2(C)CCNCC2)c1C#N
InChIInChI=1S/C17H20N4/c1-13-4-3-5-15(14(13)10-18)21-12-20-11-16(21)17(2)6-8-19-9-7-17/h3-5,11-12,19H,6-9H2,1-2H3
InChIKeyAOZMNSNYXBIMEQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.69
Rot. Bonds2

About 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile

2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile (PubChem CID 107802244) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
PubChem CID107802244
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
SMILESCc1cccc(-n2cncc2C2(C)CCNCC2)c1C#N
InChIInChI=1S/C17H20N4/c1-13-4-3-5-15(14(13)10-18)21-12-20-11-16(21)17(2)6-8-19-9-7-17/h3-5,11-12,19H,6-9H2,1-2H3
InChIKeyAOZMNSNYXBIMEQ-UHFFFAOYSA-N
XLogP2.69
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile?
The IUPAC name of 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile (CID 107802244) is 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile.
What is the SMILES notation for 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile?
The canonical SMILES for 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile is Cc1cccc(-n2cncc2C2(C)CCNCC2)c1C#N.
What is the InChIKey of 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile?
The InChIKey is AOZMNSNYXBIMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-4-3-5-15(14(13)10-18)21-12-20-11-16(21)17(2)6-8-19-9-7-17/h3-5,11-12,19H,6-9H2,1-2H3.
What are the key properties of 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile?
2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile is sourced from PubChem (CID 107802244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).