2-(2-imidazol-1-ylethylamino)benzonitrile

C12H12N4 — CID 60677676

IUPAC2-(2-imidazol-1-ylethylamino)benzonitrile
SMILESN#Cc1ccccc1NCCn1ccnc1
InChIInChI=1S/C12H12N4/c13-9-11-3-1-2-4-12(11)15-6-8-16-7-5-14-10-16/h1-5,7,10,15H,6,8H2
InChIKeyCRQRYEHGBRLODL-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-imidazol-1-ylethylamino)benzonitrile

2-(2-imidazol-1-ylethylamino)benzonitrile (PubChem CID 60677676) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylamino)benzonitrile.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylamino)benzonitrile
PubChem CID60677676
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-(2-imidazol-1-ylethylamino)benzonitrile
SMILESN#Cc1ccccc1NCCn1ccnc1
InChIInChI=1S/C12H12N4/c13-9-11-3-1-2-4-12(11)15-6-8-16-7-5-14-10-16/h1-5,7,10,15H,6,8H2
InChIKeyCRQRYEHGBRLODL-UHFFFAOYSA-N
XLogP1.87
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
3-chloro-2-(2-imidazol-1-ylethylamino)benzonitrile
CID 75484891
2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
5-fluoro-2-(4-imidazol-1-ylbutylamino)benzonitrile
CID 63673453
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
CID 115487555
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
CID 60716733
2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897285
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
3-N-(2-imidazol-1-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80804235
2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
CID 57153179
2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine
CID 130834561

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylamino)benzonitrile?
The IUPAC name of 2-(2-imidazol-1-ylethylamino)benzonitrile (CID 60677676) is 2-(2-imidazol-1-ylethylamino)benzonitrile.
What is the SMILES notation for 2-(2-imidazol-1-ylethylamino)benzonitrile?
The canonical SMILES for 2-(2-imidazol-1-ylethylamino)benzonitrile is N#Cc1ccccc1NCCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethylamino)benzonitrile?
The InChIKey is CRQRYEHGBRLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-9-11-3-1-2-4-12(11)15-6-8-16-7-5-14-10-16/h1-5,7,10,15H,6,8H2.
What are the key properties of 2-(2-imidazol-1-ylethylamino)benzonitrile?
2-(2-imidazol-1-ylethylamino)benzonitrile has a molecular weight of 212.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylamino)benzonitrile is sourced from PubChem (CID 60677676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).