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

C11H14N4O2 — CID 115611145

IUPACN-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1ccc(CCNC2=NCCN2)cc1
InChIInChI=1S/C11H14N4O2/c16-15(17)10-3-1-9(2-4-10)5-6-12-11-13-7-8-14-11/h1-4H,5-8H2,(H2,12,13,14)
InChIKeyODJROHXXLSPTSV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.69
Rot. Bonds4

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

N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115611145) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115611145
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1ccc(CCNC2=NCCN2)cc1
InChIInChI=1S/C11H14N4O2/c16-15(17)10-3-1-9(2-4-10)5-6-12-11-13-7-8-14-11/h1-4H,5-8H2,(H2,12,13,14)
InChIKeyODJROHXXLSPTSV-UHFFFAOYSA-N
XLogP0.69
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.69
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-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601436
N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 126477109
N-[2-(2-nitrophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119138331
N-[(3-nitrophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916811
1-methoxy-2-methyl-N-[2-(4-nitrophenyl)ethyl]propan-2-amine
CID 115627630
4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 62958039
2-(4-nitrophenyl)ethylhydrazine;hydrochloride
CID 69415897
N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65277207
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115611145) is N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is O=[N+]([O-])c1ccc(CCNC2=NCCN2)cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ODJROHXXLSPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-15(17)10-3-1-9(2-4-10)5-6-12-11-13-7-8-14-11/h1-4H,5-8H2,(H2,12,13,14).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).