2-(1H-imidazol-2-ylamino)benzonitrile

C10H8N4 — CID 83696844

IUPAC2-(1H-imidazol-2-ylamino)benzonitrile
SMILESN#Cc1ccccc1Nc1ncc[nH]1
InChIInChI=1S/C10H8N4/c11-7-8-3-1-2-4-9(8)14-10-12-5-6-13-10/h1-6H,(H2,12,13,14)
InChIKeyJJWGTXLZAONIDN-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.02
Rot. Bonds2

About 2-(1H-imidazol-2-ylamino)benzonitrile

2-(1H-imidazol-2-ylamino)benzonitrile (PubChem CID 83696844) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylamino)benzonitrile
PubChem CID83696844
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-(1H-imidazol-2-ylamino)benzonitrile
SMILESN#Cc1ccccc1Nc1ncc[nH]1
InChIInChI=1S/C10H8N4/c11-7-8-3-1-2-4-9(8)14-10-12-5-6-13-10/h1-6H,(H2,12,13,14)
InChIKeyJJWGTXLZAONIDN-UHFFFAOYSA-N
XLogP2.02
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135755985
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2-[(5-bromopyrimidin-2-yl)amino]benzonitrile
CID 63874554
2-(2-bromoanilino)benzonitrile
CID 28602037
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795
2-[(6-tert-butyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]benzonitrile
CID 135594190
5-amino-6-(2-cyanoanilino)pyridine-3-carboxylic acid
CID 81440129
2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112901682
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-[[2-(2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112901878
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylamino)benzonitrile?
The IUPAC name of 2-(1H-imidazol-2-ylamino)benzonitrile (CID 83696844) is 2-(1H-imidazol-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(1H-imidazol-2-ylamino)benzonitrile?
The canonical SMILES for 2-(1H-imidazol-2-ylamino)benzonitrile is N#Cc1ccccc1Nc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-ylamino)benzonitrile?
The InChIKey is JJWGTXLZAONIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-7-8-3-1-2-4-9(8)14-10-12-5-6-13-10/h1-6H,(H2,12,13,14).
What are the key properties of 2-(1H-imidazol-2-ylamino)benzonitrile?
2-(1H-imidazol-2-ylamino)benzonitrile has a molecular weight of 184.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylamino)benzonitrile is sourced from PubChem (CID 83696844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).