N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine

C7H8ClN3 — CID 154038311

IUPACN-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine
SMILESC=C(Cl)c1[nH]cnc1N=CC
InChIInChI=1S/C7H8ClN3/c1-3-9-7-6(5(2)8)10-4-11-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyFCIWRUANMAUPOK-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.34
Rot. Bonds2

About N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine

N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine (PubChem CID 154038311) has the molecular formula C7H8ClN3 and a molecular weight of 169.61 g/mol. Its IUPAC name is N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine.

Molecular Properties

Compound NameN-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine
PubChem CID154038311
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
Exact Mass169.04
IUPAC NameN-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine
SMILESC=C(Cl)c1[nH]cnc1N=CC
InChIInChI=1S/C7H8ClN3/c1-3-9-7-6(5(2)8)10-4-11-7/h3-4H,2H2,1H3,(H,10,11)
InChIKeyFCIWRUANMAUPOK-UHFFFAOYSA-N
XLogP2.34
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine?
The IUPAC name of N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine (CID 154038311) is N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine.
What is the SMILES notation for N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine?
The canonical SMILES for N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine is C=C(Cl)c1[nH]cnc1N=CC.
What is the InChIKey of N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine?
The InChIKey is FCIWRUANMAUPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-3-9-7-6(5(2)8)10-4-11-7/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine?
N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine has a molecular weight of 169.61 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-chloroethenyl)-1H-imidazol-4-yl]ethanimine is sourced from PubChem (CID 154038311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).