N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C22H23ClN8 — CID 6326620

IUPACN-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESC(=N\NC1=NCCN1)\c1c2ccccc2c(/C=N\NC2=NCCN2)c2ccccc12.Cl
InChIInChI=1S/C22H22N8.ClH/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22;/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30);1H/b27-13-,28-14-;
InChIKeyHBSXKBIYGYFNRF-JMLRMIEWSA-N
MW434.94 g/mol
LogP2.18
Rot. Bonds4

About N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 6326620) has the molecular formula C22H23ClN8 and a molecular weight of 434.94 g/mol. Its IUPAC name is N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID6326620
Molecular FormulaC22H23ClN8
Molecular Weight434.94 g/mol
Exact Mass434.17
IUPAC NameN-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESC(=N\NC1=NCCN1)\c1c2ccccc2c(/C=N\NC2=NCCN2)c2ccccc12.Cl
InChIInChI=1S/C22H22N8.ClH/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22;/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30);1H/b27-13-,28-14-;
InChIKeyHBSXKBIYGYFNRF-JMLRMIEWSA-N
XLogP2.18
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 6326620) is N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is C(=N\NC1=NCCN1)\c1c2ccccc2c(/C=N\NC2=NCCN2)c2ccccc12.Cl.
What is the InChIKey of N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is HBSXKBIYGYFNRF-JMLRMIEWSA-N. The full InChI is InChI=1S/C22H22N8.ClH/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22;/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30);1H/b27-13-,28-14-;.
What are the key properties of N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 434.94 g/mol, XLogP of 2.18, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[10-[(Z)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 6326620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).