(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine

C18H18Cl2N6 — CID 145046214

IUPAC(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine
SMILESC/C(NN)=C(/N)c1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C18H18Cl2N6/c1-11(25-22)18(21)12-5-6-23-15(7-12)16-9-26(10-24-16)8-13-3-2-4-14(19)17(13)20/h2-7,9-10,25H,8,21-22H2,1H3/b18-11-
InChIKeyLKHSTFMXUKGYFM-WQRHYEAKSA-N
MW389.29 g/mol
LogP3.41
Rot. Bonds5

About (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine

(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine (PubChem CID 145046214) has the molecular formula C18H18Cl2N6 and a molecular weight of 389.29 g/mol. Its IUPAC name is (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine
PubChem CID145046214
Molecular FormulaC18H18Cl2N6
Molecular Weight389.29 g/mol
Exact Mass388.10
IUPAC Name(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine
SMILESC/C(NN)=C(/N)c1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C18H18Cl2N6/c1-11(25-22)18(21)12-5-6-23-15(7-12)16-9-26(10-24-16)8-13-3-2-4-14(19)17(13)20/h2-7,9-10,25H,8,21-22H2,1H3/b18-11-
InChIKeyLKHSTFMXUKGYFM-WQRHYEAKSA-N
XLogP3.41
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine?
The IUPAC name of (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine (CID 145046214) is (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine is C/C(NN)=C(/N)c1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1.
What is the InChIKey of (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine?
The InChIKey is LKHSTFMXUKGYFM-WQRHYEAKSA-N. The full InChI is InChI=1S/C18H18Cl2N6/c1-11(25-22)18(21)12-5-6-23-15(7-12)16-9-26(10-24-16)8-13-3-2-4-14(19)17(13)20/h2-7,9-10,25H,8,21-22H2,1H3/b18-11-.
What are the key properties of (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine?
(Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine has a molecular weight of 389.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-pyridinyl]-2-hydrazinylprop-1-en-1-amine is sourced from PubChem (CID 145046214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).