2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile

C15H17N3O — CID 106788433

IUPAC2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile
SMILESCCCc1nccn1Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C15H17N3O/c1-3-4-15-17-7-8-18(15)11-12-5-6-13(10-16)14(9-12)19-2/h5-9H,3-4,11H2,1-2H3
InChIKeyFZSSOVRONUHNAD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.76
Rot. Bonds5

About 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile

2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile (PubChem CID 106788433) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile
PubChem CID106788433
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile
SMILESCCCc1nccn1Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C15H17N3O/c1-3-4-15-17-7-8-18(15)11-12-5-6-13(10-16)14(9-12)19-2/h5-9H,3-4,11H2,1-2H3
InChIKeyFZSSOVRONUHNAD-UHFFFAOYSA-N
XLogP2.76
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]-2-methoxybenzonitrile
CID 18690679
2-methoxy-4-[(5-methylindol-1-yl)methyl]benzonitrile
CID 106794334
1-[(4-cyano-3-methoxyphenyl)methyl]pyrrole-2-carboxylic acid
CID 106792206
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-methoxy-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]benzonitrile
CID 65344033
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
CID 106788610
5-bromo-1-[(4-cyano-3-methoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 106792207
2-methoxy-4-[(3-methylpyrazol-1-yl)methyl]benzonitrile
CID 106788437
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
4-[(3-aminopyrazol-1-yl)methyl]-2-methoxybenzonitrile
CID 106787922
4-[(5-formylimidazol-1-yl)methyl]-2-methoxybenzonitrile
CID 22464402
methyl 2-[4-[(2-butylimidazol-1-yl)methyl]-2-methoxyphenyl]benzoate
CID 19841101

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile (CID 106788433) is 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile is CCCc1nccn1Cc1ccc(C#N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile?
The InChIKey is FZSSOVRONUHNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-4-15-17-7-8-18(15)11-12-5-6-13(10-16)14(9-12)19-2/h5-9H,3-4,11H2,1-2H3.
What are the key properties of 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile?
2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2-propylimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 106788433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).