2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile

C11H11N3 — CID 117280247

IUPAC2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile
SMILESCN1CCN=C1c1ccccc1C#N
InChIInChI=1S/C11H11N3/c1-14-7-6-13-11(14)10-5-3-2-4-9(10)8-12/h2-5H,6-7H2,1H3
InChIKeyFKOLZZXHGKGXBR-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.25
Rot. Bonds1

About 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile

2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile (PubChem CID 117280247) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile
PubChem CID117280247
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile
SMILESCN1CCN=C1c1ccccc1C#N
InChIInChI=1S/C11H11N3/c1-14-7-6-13-11(14)10-5-3-2-4-9(10)8-12/h2-5H,6-7H2,1H3
InChIKeyFKOLZZXHGKGXBR-UHFFFAOYSA-N
XLogP1.25
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-1-methyl-4,5-dihydroimidazole
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1-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile?
The IUPAC name of 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile (CID 117280247) is 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile.
What is the SMILES notation for 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile?
The canonical SMILES for 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile is CN1CCN=C1c1ccccc1C#N.
What is the InChIKey of 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile?
The InChIKey is FKOLZZXHGKGXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-14-7-6-13-11(14)10-5-3-2-4-9(10)8-12/h2-5H,6-7H2,1H3.
What are the key properties of 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile?
2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5-dihydroimidazol-2-yl)benzonitrile is sourced from PubChem (CID 117280247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).