4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile

C18H19N3 — CID 14852897

IUPAC4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(=C2CCCCCC2)n2ccnc2)cc1
InChIInChI=1S/C18H19N3/c19-13-15-7-9-17(10-8-15)18(21-12-11-20-14-21)16-5-3-1-2-4-6-16/h7-12,14H,1-6H2
InChIKeyHGCRFTZOIFUUNE-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.37
Rot. Bonds2

About 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile

4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile (PubChem CID 14852897) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile
PubChem CID14852897
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(=C2CCCCCC2)n2ccnc2)cc1
InChIInChI=1S/C18H19N3/c19-13-15-7-9-17(10-8-15)18(21-12-11-20-14-21)16-5-3-1-2-4-6-16/h7-12,14H,1-6H2
InChIKeyHGCRFTZOIFUUNE-UHFFFAOYSA-N
XLogP4.37
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile (CID 14852897) is 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(C(=C2CCCCCC2)n2ccnc2)cc1.
What is the InChIKey of 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile?
The InChIKey is HGCRFTZOIFUUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-13-15-7-9-17(10-8-15)18(21-12-11-20-14-21)16-5-3-1-2-4-6-16/h7-12,14H,1-6H2.
What are the key properties of 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile?
4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile has a molecular weight of 277.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptylidene(imidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 14852897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).