1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile

C14H15N3O — CID 166243341

IUPAC1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile
SMILESCOc1cccc(Cn2c(C#N)nc(C)c2C)c1
InChIInChI=1S/C14H15N3O/c1-10-11(2)17(14(8-15)16-10)9-12-5-4-6-13(7-12)18-3/h4-7H,9H2,1-3H3
InChIKeyGCPUZQHOXPGLIQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.43
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile

1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile (PubChem CID 166243341) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile
PubChem CID166243341
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile
SMILESCOc1cccc(Cn2c(C#N)nc(C)c2C)c1
InChIInChI=1S/C14H15N3O/c1-10-11(2)17(14(8-15)16-10)9-12-5-4-6-13(7-12)18-3/h4-7H,9H2,1-3H3
InChIKeyGCPUZQHOXPGLIQ-UHFFFAOYSA-N
XLogP2.43
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
CID 15099395
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
3-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 79367415
2-[1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]propan-2-amine
CID 54757246
1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19343810
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
ethyl 4-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232650

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile (CID 166243341) is 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile is COc1cccc(Cn2c(C#N)nc(C)c2C)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile?
The InChIKey is GCPUZQHOXPGLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-11(2)17(14(8-15)16-10)9-12-5-4-6-13(7-12)18-3/h4-7H,9H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile?
1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile is sourced from PubChem (CID 166243341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).