benzonitrile;4-(imidazol-1-ylamino)benzonitrile

C17H13N5 — CID 158279093

IUPACbenzonitrile;4-(imidazol-1-ylamino)benzonitrile
SMILESN#Cc1ccc(Nn2ccnc2)cc1.N#Cc1ccccc1
InChIInChI=1S/C10H8N4.C7H5N/c11-7-9-1-3-10(4-2-9)13-14-6-5-12-8-14;8-6-7-4-2-1-3-5-7/h1-6,8,13H;1-5H
InChIKeyGJZHSBVCRASPEA-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.19
Rot. Bonds2

About benzonitrile;4-(imidazol-1-ylamino)benzonitrile

benzonitrile;4-(imidazol-1-ylamino)benzonitrile (PubChem CID 158279093) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is benzonitrile;4-(imidazol-1-ylamino)benzonitrile.

Molecular Properties

Compound Namebenzonitrile;4-(imidazol-1-ylamino)benzonitrile
PubChem CID158279093
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Namebenzonitrile;4-(imidazol-1-ylamino)benzonitrile
SMILESN#Cc1ccc(Nn2ccnc2)cc1.N#Cc1ccccc1
InChIInChI=1S/C10H8N4.C7H5N/c11-7-9-1-3-10(4-2-9)13-14-6-5-12-8-14;8-6-7-4-2-1-3-5-7/h1-6,8,13H;1-5H
InChIKeyGJZHSBVCRASPEA-UHFFFAOYSA-N
XLogP3.19
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzonitrile;4-(imidazol-1-ylamino)benzonitrile?
The IUPAC name of benzonitrile;4-(imidazol-1-ylamino)benzonitrile (CID 158279093) is benzonitrile;4-(imidazol-1-ylamino)benzonitrile.
What is the SMILES notation for benzonitrile;4-(imidazol-1-ylamino)benzonitrile?
The canonical SMILES for benzonitrile;4-(imidazol-1-ylamino)benzonitrile is N#Cc1ccc(Nn2ccnc2)cc1.N#Cc1ccccc1.
What is the InChIKey of benzonitrile;4-(imidazol-1-ylamino)benzonitrile?
The InChIKey is GJZHSBVCRASPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4.C7H5N/c11-7-9-1-3-10(4-2-9)13-14-6-5-12-8-14;8-6-7-4-2-1-3-5-7/h1-6,8,13H;1-5H.
What are the key properties of benzonitrile;4-(imidazol-1-ylamino)benzonitrile?
benzonitrile;4-(imidazol-1-ylamino)benzonitrile has a molecular weight of 287.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;4-(imidazol-1-ylamino)benzonitrile is sourced from PubChem (CID 158279093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).