N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine

C12H20N6 — CID 23154847

IUPACN-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCN=c1n(C)ccn1C
InChIInChI=1S/C12H20N6/c1-15-7-8-16(2)11(15)13-5-6-14-12-17(3)9-10-18(12)4/h7-10H,5-6H2,1-4H3
InChIKeyMBRPVEUVMMWWRB-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.46
Rot. Bonds3

About N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine

N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine (PubChem CID 23154847) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound NameN-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine
PubChem CID23154847
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCN=c1n(C)ccn1C
InChIInChI=1S/C12H20N6/c1-15-7-8-16(2)11(15)13-5-6-14-12-17(3)9-10-18(12)4/h7-10H,5-6H2,1-4H3
InChIKeyMBRPVEUVMMWWRB-UHFFFAOYSA-N
XLogP-0.46
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine?
The IUPAC name of N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine (CID 23154847) is N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine.
What is the SMILES notation for N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine?
The canonical SMILES for N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine is Cn1ccn(C)c1=NCCN=c1n(C)ccn1C.
What is the InChIKey of N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine?
The InChIKey is MBRPVEUVMMWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-15-7-8-16(2)11(15)13-5-6-14-12-17(3)9-10-18(12)4/h7-10H,5-6H2,1-4H3.
What are the key properties of N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine?
N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine has a molecular weight of 248.33 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-dimethylimidazol-2-ylidene)amino]ethyl]-1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 23154847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).