3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile

C16H18N4 — CID 59198607

IUPAC3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2ccnc2C2CCCCC2)c(N)c1
InChIInChI=1S/C16H18N4/c17-11-12-6-7-15(14(18)10-12)20-9-8-19-16(20)13-4-2-1-3-5-13/h6-10,13H,1-5,18H2
InChIKeySQYURKANCGWINP-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.37
Rot. Bonds2

About 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile

3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile (PubChem CID 59198607) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile
PubChem CID59198607
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2ccnc2C2CCCCC2)c(N)c1
InChIInChI=1S/C16H18N4/c17-11-12-6-7-15(14(18)10-12)20-9-8-19-16(20)13-4-2-1-3-5-13/h6-10,13H,1-5,18H2
InChIKeySQYURKANCGWINP-UHFFFAOYSA-N
XLogP3.37
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile?
The IUPAC name of 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile (CID 59198607) is 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile?
The canonical SMILES for 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile is N#Cc1ccc(-n2ccnc2C2CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile?
The InChIKey is SQYURKANCGWINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-11-12-6-7-15(14(18)10-12)20-9-8-19-16(20)13-4-2-1-3-5-13/h6-10,13H,1-5,18H2.
What are the key properties of 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile?
3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-cyclohexylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 59198607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).