N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine

C9H10N4O2 — CID 15937972

IUPACN-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1cccc(NC2=NCCN2)c1
InChIInChI=1S/C9H10N4O2/c14-13(15)8-3-1-2-7(6-8)12-9-10-4-5-11-9/h1-3,6H,4-5H2,(H2,10,11,12)
InChIKeyBAAZIBAEPGMKHT-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.97
Rot. Bonds2

About N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 15937972) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID15937972
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1cccc(NC2=NCCN2)c1
InChIInChI=1S/C9H10N4O2/c14-13(15)8-3-1-2-7(6-8)12-9-10-4-5-11-9/h1-3,6H,4-5H2,(H2,10,11,12)
InChIKeyBAAZIBAEPGMKHT-UHFFFAOYSA-N
XLogP0.97
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 172886347
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879
N-[(3-nitrophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916811
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785
N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601436
N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 15175563
CID 58015538
CID 58015538
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999
4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid
CID 20619265
2-[4-[(3-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82251895
hydrazine;bis((3-nitrophenyl)hydrazine);hydrate
CID 158997537

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 15937972) is N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine is O=[N+]([O-])c1cccc(NC2=NCCN2)c1.
What is the InChIKey of N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BAAZIBAEPGMKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-13(15)8-3-1-2-7(6-8)12-9-10-4-5-11-9/h1-3,6H,4-5H2,(H2,10,11,12).
What are the key properties of N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 206.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 15937972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).