N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C11H14IN5O2 — CID 172886347

IUPACN-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESC/C(=N\NC1=NCCN1)c1cccc([N+](=O)[O-])c1.I
InChIInChI=1S/C11H13N5O2.HI/c1-8(14-15-11-12-5-6-13-11)9-3-2-4-10(7-9)16(17)18;/h2-4,7H,5-6H2,1H3,(H2,12,13,15);1H/b14-8+;
InChIKeyLFUIMENEKYQMCY-XHIXCECLSA-N
MW375.17 g/mol
LogP1.49
Rot. Bonds3

About N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 172886347) has the molecular formula C11H14IN5O2 and a molecular weight of 375.17 g/mol. Its IUPAC name is N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID172886347
Molecular FormulaC11H14IN5O2
Molecular Weight375.17 g/mol
Exact Mass375.02
IUPAC NameN-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESC/C(=N\NC1=NCCN1)c1cccc([N+](=O)[O-])c1.I
InChIInChI=1S/C11H13N5O2.HI/c1-8(14-15-11-12-5-6-13-11)9-3-2-4-10(7-9)16(17)18;/h2-4,7H,5-6H2,1H3,(H2,12,13,15);1H/b14-8+;
InChIKeyLFUIMENEKYQMCY-XHIXCECLSA-N
XLogP1.49
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
N-[4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide
CID 74390171
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[(E)-1-(3-nitrophenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 19662001
N-[(E)-1-(3-nitrophenyl)ethylideneamino]piperazine-1-carbothioamide
CID 71730714
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-nitroaniline
CID 6079372
1-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]-3-nitrobenzene
CID 3956299

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 172886347) is N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is C/C(=N\NC1=NCCN1)c1cccc([N+](=O)[O-])c1.I.
What is the InChIKey of N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is LFUIMENEKYQMCY-XHIXCECLSA-N. The full InChI is InChI=1S/C11H13N5O2.HI/c1-8(14-15-11-12-5-6-13-11)9-3-2-4-10(7-9)16(17)18;/h2-4,7H,5-6H2,1H3,(H2,12,13,15);1H/b14-8+;.
What are the key properties of N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 375.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 172886347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).