N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine

C16H24N4 — CID 123455975

IUPACN-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine
SMILESC=CC=C(CN1CN(C/C(C=CC)=N/C)C=C1C)N=C
InChIInChI=1S/C16H24N4/c1-6-8-15(17-4)11-19-10-14(3)20(13-19)12-16(18-5)9-7-2/h6-10H,2,5,11-13H2,1,3-4H3/b8-6?,16-9?,17-15+
InChIKeyQDOCEIGKNLRPDY-FDVFYOJOSA-N
MW272.40 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine

N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine (PubChem CID 123455975) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine
PubChem CID123455975
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine
SMILESC=CC=C(CN1CN(C/C(C=CC)=N/C)C=C1C)N=C
InChIInChI=1S/C16H24N4/c1-6-8-15(17-4)11-19-10-14(3)20(13-19)12-16(18-5)9-7-2/h6-10H,2,5,11-13H2,1,3-4H3/b8-6?,16-9?,17-15+
InChIKeyQDOCEIGKNLRPDY-FDVFYOJOSA-N
XLogP2.84
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z,14Z)-7-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5,13-diethyl-11-methyl-3,5,8,11,13,18-hexazabicyclo[13.2.1]octadeca-1,7,14,16-tetraene;ethane
CID 142140542
7-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5,13-diethyl-11-methyl-3,5,8,11,13,18-hexazabicyclo[13.2.1]octadeca-1,7,14,16-tetraene
CID 142140543
1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine
CID 142949866

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine?
The IUPAC name of N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine (CID 123455975) is N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine?
The canonical SMILES for N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine is C=CC=C(CN1CN(C/C(C=CC)=N/C)C=C1C)N=C.
What is the InChIKey of N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine?
The InChIKey is QDOCEIGKNLRPDY-FDVFYOJOSA-N. The full InChI is InChI=1S/C16H24N4/c1-6-8-15(17-4)11-19-10-14(3)20(13-19)12-16(18-5)9-7-2/h6-10H,2,5,11-13H2,1,3-4H3/b8-6?,16-9?,17-15+.
What are the key properties of N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine?
N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine has a molecular weight of 272.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine is sourced from PubChem (CID 123455975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).