(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine

C19H21N5 — CID 142291206

IUPAC(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine
SMILESC=C/C(NN)=C(C=C)/C(C#Cc1ccc(C2=NCCN2)cc1)=C\N
InChIInChI=1S/C19H21N5/c1-3-17(18(4-2)24-21)16(13-20)10-7-14-5-8-15(9-6-14)19-22-11-12-23-19/h3-6,8-9,13,24H,1-2,11-12,20-21H2,(H,22,23)/b16-13-,18-17-
InChIKeyJSYFFDTVNYRLIH-JUIIQYEISA-N
MW319.41 g/mol
LogP1.32
Rot. Bonds5

About (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine

(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine (PubChem CID 142291206) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine
PubChem CID142291206
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine
SMILESC=C/C(NN)=C(C=C)/C(C#Cc1ccc(C2=NCCN2)cc1)=C\N
InChIInChI=1S/C19H21N5/c1-3-17(18(4-2)24-21)16(13-20)10-7-14-5-8-15(9-6-14)19-22-11-12-23-19/h3-6,8-9,13,24H,1-2,11-12,20-21H2,(H,22,23)/b16-13-,18-17-
InChIKeyJSYFFDTVNYRLIH-JUIIQYEISA-N
XLogP1.32
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120
3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine
CID 142291210
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
CID 110460893
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
CID 82242863
2-(4-ethylsulfanylphenyl)-4,5-dihydro-1H-imidazole
CID 126982323
(E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 169441091
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-1H-pyrrolo[2,3-c]pyridin-5-amine;methanethiol
CID 157183778
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
2-[4-[(1E,3E)-4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]buta-1,3-dienyl]phenyl]-4,5-dihydro-1H-imidazole
CID 5478794
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 51041954
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-ethynylphenyl)-1,2,4-oxadiazole
CID 171851811

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine (CID 142291206) is (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine is C=C/C(NN)=C(C=C)/C(C#Cc1ccc(C2=NCCN2)cc1)=C\N.
What is the InChIKey of (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine?
The InChIKey is JSYFFDTVNYRLIH-JUIIQYEISA-N. The full InChI is InChI=1S/C19H21N5/c1-3-17(18(4-2)24-21)16(13-20)10-7-14-5-8-15(9-6-14)19-22-11-12-23-19/h3-6,8-9,13,24H,1-2,11-12,20-21H2,(H,22,23)/b16-13-,18-17-.
What are the key properties of (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine has a molecular weight of 319.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-3-ethenyl-4-hydrazinylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 142291206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).