N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C15H14N4O2 — CID 15175563

IUPACN-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1NC1=NCCN1
InChIInChI=1S/C15H14N4O2/c20-19(21)14-8-4-2-6-12(14)11-5-1-3-7-13(11)18-15-16-9-10-17-15/h1-8H,9-10H2,(H2,16,17,18)
InChIKeyRVPPNKNVNIRYMH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.63
Rot. Bonds3

About N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 15175563) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID15175563
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1ccccc1-c1ccccc1NC1=NCCN1
InChIInChI=1S/C15H14N4O2/c20-19(21)14-8-4-2-6-12(14)11-5-1-3-7-13(11)18-15-16-9-10-17-15/h1-8H,9-10H2,(H2,16,17,18)
InChIKeyRVPPNKNVNIRYMH-UHFFFAOYSA-N
XLogP2.63
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 15175563) is N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is O=[N+]([O-])c1ccccc1-c1ccccc1NC1=NCCN1.
What is the InChIKey of N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is RVPPNKNVNIRYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-19(21)14-8-4-2-6-12(14)11-5-1-3-7-13(11)18-15-16-9-10-17-15/h1-8H,9-10H2,(H2,16,17,18).
What are the key properties of N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 282.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 15175563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).