N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine

C17H17Cl2N7 — CID 66971586

IUPACN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine
SMILESClc1cccc(Cl)c1NC1=NCCN1.NNc1nncc2ccccc12
InChIInChI=1S/C9H9Cl2N3.C8H8N4/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-3H,4-5H2,(H2,12,13,14);1-5H,9H2,(H,11,12)
InChIKeyRJESVFNAYKVNFZ-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.28
Rot. Bonds2

About N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine

N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine (PubChem CID 66971586) has the molecular formula C17H17Cl2N7 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine
PubChem CID66971586
Molecular FormulaC17H17Cl2N7
Molecular Weight390.28 g/mol
Exact Mass389.09
IUPAC NameN-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine
SMILESClc1cccc(Cl)c1NC1=NCCN1.NNc1nncc2ccccc12
InChIInChI=1S/C9H9Cl2N3.C8H8N4/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-3H,4-5H2,(H2,12,13,14);1-5H,9H2,(H,11,12)
InChIKeyRJESVFNAYKVNFZ-UHFFFAOYSA-N
XLogP3.28
TPSA100.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine?
The IUPAC name of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine (CID 66971586) is N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine is Clc1cccc(Cl)c1NC1=NCCN1.NNc1nncc2ccccc12.
What is the InChIKey of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine?
The InChIKey is RJESVFNAYKVNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3.C8H8N4/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-3H,4-5H2,(H2,12,13,14);1-5H,9H2,(H,11,12).
What are the key properties of N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine?
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine has a molecular weight of 390.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;phthalazin-1-ylhydrazine is sourced from PubChem (CID 66971586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).