(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine

C20H30N4 — CID 167233357

IUPAC(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine
SMILESC=CC(=C\N(C)C)/C(C)=c1/[nH]c(NC(=C)/C(C)=C/C)nc1=C(C)C
InChIInChI=1S/C20H30N4/c1-10-14(5)16(7)21-20-22-18(13(3)4)19(23-20)15(6)17(11-2)12-24(8)9/h10-12H,2,7H2,1,3-6,8-9H3,(H2,21,22,23)/b14-10+,17-12+,19-15-
InChIKeyPVZZUVHISTVUPF-FQEUWMGRSA-N
MW326.49 g/mol
LogP3.29
Rot. Bonds6

About (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine

(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine (PubChem CID 167233357) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine.

Molecular Properties

Compound Name(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine
PubChem CID167233357
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine
SMILESC=CC(=C\N(C)C)/C(C)=c1/[nH]c(NC(=C)/C(C)=C/C)nc1=C(C)C
InChIInChI=1S/C20H30N4/c1-10-14(5)16(7)21-20-22-18(13(3)4)19(23-20)15(6)17(11-2)12-24(8)9/h10-12H,2,7H2,1,3-6,8-9H3,(H2,21,22,23)/b14-10+,17-12+,19-15-
InChIKeyPVZZUVHISTVUPF-FQEUWMGRSA-N
XLogP3.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-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 (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine?
The IUPAC name of (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine (CID 167233357) is (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine.
What is the SMILES notation for (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine?
The canonical SMILES for (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine is C=CC(=C\N(C)C)/C(C)=c1/[nH]c(NC(=C)/C(C)=C/C)nc1=C(C)C.
What is the InChIKey of (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine?
The InChIKey is PVZZUVHISTVUPF-FQEUWMGRSA-N. The full InChI is InChI=1S/C20H30N4/c1-10-14(5)16(7)21-20-22-18(13(3)4)19(23-20)15(6)17(11-2)12-24(8)9/h10-12H,2,7H2,1,3-6,8-9H3,(H2,21,22,23)/b14-10+,17-12+,19-15-.
What are the key properties of (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine?
(5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine has a molecular weight of 326.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3E)-3-(dimethylaminomethylidene)pent-4-en-2-ylidene]-N-[(3E)-3-methylpenta-1,3-dien-2-yl]-4-propan-2-ylidene-1H-imidazol-2-amine is sourced from PubChem (CID 167233357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).