4-(1,2-dimethylimidazol-4-yl)benzonitrile

C12H11N3 — CID 59597714

IUPAC4-(1,2-dimethylimidazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)cn1C
InChIInChI=1S/C12H11N3/c1-9-14-12(8-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,1-2H3
InChIKeyMHADJFPFHNGTDB-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.27
Rot. Bonds1

About 4-(1,2-dimethylimidazol-4-yl)benzonitrile

4-(1,2-dimethylimidazol-4-yl)benzonitrile (PubChem CID 59597714) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(1,2-dimethylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,2-dimethylimidazol-4-yl)benzonitrile
PubChem CID59597714
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-(1,2-dimethylimidazol-4-yl)benzonitrile
SMILESCc1nc(-c2ccc(C#N)cc2)cn1C
InChIInChI=1S/C12H11N3/c1-9-14-12(8-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,1-2H3
InChIKeyMHADJFPFHNGTDB-UHFFFAOYSA-N
XLogP2.27
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-dimethylimidazol-4-yl)phenol
CID 138679602
1-[4-(1,2-dimethylimidazol-4-yl)phenyl]-N-methylmethanamine
CID 59597770
4-(1,2-diphenylimidazol-4-yl)benzonitrile
CID 134854362
N-(4-cyanophenyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62981552
4-[2-(3-aminopentan-3-yl)-1,3-thiazol-4-yl]benzonitrile
CID 61336305
1,2-dimethylimidazole-4-carbonitrile;ethane
CID 143126435
3-[4-(1,2-dimethylimidazol-4-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 142805755
4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzonitrile
CID 141122443
4-[1-(4-methylphenyl)triazol-4-yl]benzonitrile
CID 134864603
4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
CID 143499796
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylimidazol-4-yl)benzonitrile?
The IUPAC name of 4-(1,2-dimethylimidazol-4-yl)benzonitrile (CID 59597714) is 4-(1,2-dimethylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(1,2-dimethylimidazol-4-yl)benzonitrile?
The canonical SMILES for 4-(1,2-dimethylimidazol-4-yl)benzonitrile is Cc1nc(-c2ccc(C#N)cc2)cn1C.
What is the InChIKey of 4-(1,2-dimethylimidazol-4-yl)benzonitrile?
The InChIKey is MHADJFPFHNGTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-9-14-12(8-15(9)2)11-5-3-10(7-13)4-6-11/h3-6,8H,1-2H3.
What are the key properties of 4-(1,2-dimethylimidazol-4-yl)benzonitrile?
4-(1,2-dimethylimidazol-4-yl)benzonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 59597714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).