3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile

C18H15N3O — CID 175957912

IUPAC3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile
SMILESCc1cn(OCc2ccccc2)c(-c2cccc(C#N)c2)n1
InChIInChI=1S/C18H15N3O/c1-14-12-21(22-13-15-6-3-2-4-7-15)18(20-14)17-9-5-8-16(10-17)11-19/h2-10,12H,13H2,1H3
InChIKeyOVSMQXBPUNZXHG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.36
Rot. Bonds4

About 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile

3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile (PubChem CID 175957912) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile
PubChem CID175957912
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile
SMILESCc1cn(OCc2ccccc2)c(-c2cccc(C#N)c2)n1
InChIInChI=1S/C18H15N3O/c1-14-12-21(22-13-15-6-3-2-4-7-15)18(20-14)17-9-5-8-16(10-17)11-19/h2-10,12H,13H2,1H3
InChIKeyOVSMQXBPUNZXHG-UHFFFAOYSA-N
XLogP3.36
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-cyanophenyl)-3-[(3-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate
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2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
3-[4-(ethoxymethyl)phenyl]benzonitrile
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1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
ethyl 5-(3-cyanophenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 55182921
ethyl 4-amino-2-(3-cyanophenyl)-6-(2-phenylmethoxyethoxy)pyrimidine-5-carboxylate
CID 155447872
2-(3-cyanophenyl)-3-(3-hydroxypropoxy)-5-methylimidazole-4-carboxylic acid
CID 170161093
3-[(2-phenylimidazol-1-yl)methyl]benzonitrile
CID 61071786
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
N,N-dibenzylpropan-1-amine;3-methylbenzonitrile
CID 143178266
methyl 3-(3-cyanophenyl)-5-(phenylmethoxymethyl)benzoate
CID 70156644
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile?
The IUPAC name of 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile (CID 175957912) is 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile.
What is the SMILES notation for 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile?
The canonical SMILES for 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile is Cc1cn(OCc2ccccc2)c(-c2cccc(C#N)c2)n1.
What is the InChIKey of 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile?
The InChIKey is OVSMQXBPUNZXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-14-12-21(22-13-15-6-3-2-4-7-15)18(20-14)17-9-5-8-16(10-17)11-19/h2-10,12H,13H2,1H3.
What are the key properties of 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile?
3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1-phenylmethoxyimidazol-2-yl)benzonitrile is sourced from PubChem (CID 175957912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).