4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride

C17H18ClN3 — CID 67811029

IUPAC4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C(=C2CCCCC2)c2ncc[nH]2)cc1
InChIInChI=1S/C17H17N3.ClH/c18-12-13-6-8-15(9-7-13)16(17-19-10-11-20-17)14-4-2-1-3-5-14;/h6-11H,1-5H2,(H,19,20);1H
InChIKeySGABOCPOFHFGTG-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.47
Rot. Bonds2

About 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride

4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride (PubChem CID 67811029) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride
PubChem CID67811029
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C(=C2CCCCC2)c2ncc[nH]2)cc1
InChIInChI=1S/C17H17N3.ClH/c18-12-13-6-8-15(9-7-13)16(17-19-10-11-20-17)14-4-2-1-3-5-14;/h6-11H,1-5H2,(H,19,20);1H
InChIKeySGABOCPOFHFGTG-UHFFFAOYSA-N
XLogP4.47
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride (CID 67811029) is 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(C(=C2CCCCC2)c2ncc[nH]2)cc1.
What is the InChIKey of 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride?
The InChIKey is SGABOCPOFHFGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.ClH/c18-12-13-6-8-15(9-7-13)16(17-19-10-11-20-17)14-4-2-1-3-5-14;/h6-11H,1-5H2,(H,19,20);1H.
What are the key properties of 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride?
4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylidene(1H-imidazol-2-yl)methyl]benzonitrile;hydrochloride is sourced from PubChem (CID 67811029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).