4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine

C18H19N3 — CID 129066267

IUPAC4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine
SMILESC=c1ccc(=c2nc(C)n(C)c2=C2C=CN(C)C=C2)cc1
InChIInChI=1S/C18H19N3/c1-13-5-7-15(8-6-13)17-18(21(4)14(2)19-17)16-9-11-20(3)12-10-16/h5-12H,1H2,2-4H3
InChIKeyLGZWXXZATNAZEY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds

About 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine

4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine (PubChem CID 129066267) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine.

Molecular Properties

Compound Name4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine
PubChem CID129066267
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine
SMILESC=c1ccc(=c2nc(C)n(C)c2=C2C=CN(C)C=C2)cc1
InChIInChI=1S/C18H19N3/c1-13-5-7-15(8-6-13)17-18(21(4)14(2)19-17)16-9-11-20(3)12-10-16/h5-12H,1H2,2-4H3
InChIKeyLGZWXXZATNAZEY-UHFFFAOYSA-N
XLogP1.55
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine?
The IUPAC name of 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine (CID 129066267) is 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine.
What is the SMILES notation for 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine?
The canonical SMILES for 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine is C=c1ccc(=c2nc(C)n(C)c2=C2C=CN(C)C=C2)cc1.
What is the InChIKey of 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine?
The InChIKey is LGZWXXZATNAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-7-15(8-6-13)17-18(21(4)14(2)19-17)16-9-11-20(3)12-10-16/h5-12H,1H2,2-4H3.
What are the key properties of 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine?
4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine has a molecular weight of 277.37 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine is sourced from PubChem (CID 129066267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).