2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine

C7H8ClN3 — CID 143405177

IUPAC2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine
SMILESC=CNc1nc(Cl)[nH]c1C=C
InChIInChI=1S/C7H8ClN3/c1-3-5-6(9-4-2)11-7(8)10-5/h3-4,9H,1-2H2,(H,10,11)
InChIKeyNKCXJMVYFMBWCP-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine

2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine (PubChem CID 143405177) has the molecular formula C7H8ClN3 and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine.

Molecular Properties

Compound Name2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine
PubChem CID143405177
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
Exact Mass169.04
IUPAC Name2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine
SMILESC=CNc1nc(Cl)[nH]c1C=C
InChIInChI=1S/C7H8ClN3/c1-3-5-6(9-4-2)11-7(8)10-5/h3-4,9H,1-2H2,(H,10,11)
InChIKeyNKCXJMVYFMBWCP-UHFFFAOYSA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine?
The IUPAC name of 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine (CID 143405177) is 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine.
What is the SMILES notation for 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine?
The canonical SMILES for 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine is C=CNc1nc(Cl)[nH]c1C=C.
What is the InChIKey of 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine?
The InChIKey is NKCXJMVYFMBWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-3-5-6(9-4-2)11-7(8)10-5/h3-4,9H,1-2H2,(H,10,11).
What are the key properties of 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine?
2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine has a molecular weight of 169.61 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-bis(ethenyl)-1H-imidazol-4-amine is sourced from PubChem (CID 143405177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).