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

C10H12N4O2 — CID 115601436

IUPACN-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H12N4O2/c15-14(16)9-3-1-8(2-4-9)7-13-10-11-5-6-12-10/h1-4H,5-7H2,(H2,11,12,13)
InChIKeyWVAYFRXPLQRVHL-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.64
Rot. Bonds3

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

N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115601436) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115601436
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H12N4O2/c15-14(16)9-3-1-8(2-4-9)7-13-10-11-5-6-12-10/h1-4H,5-7H2,(H2,11,12,13)
InChIKeyWVAYFRXPLQRVHL-UHFFFAOYSA-N
XLogP0.64
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.64
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-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115611145
N-[(3-nitrophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110916811
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 126477109
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
N-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 15937972
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
2,3,4-trifluoro-N-[(4-nitrophenyl)methyl]aniline
CID 28574355
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
2-N-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 116795542
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine
CID 106192668

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 115601436) is N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is O=[N+]([O-])c1ccc(CNC2=NCCN2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WVAYFRXPLQRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-14(16)9-3-1-8(2-4-9)7-13-10-11-5-6-12-10/h1-4H,5-7H2,(H2,11,12,13).
What are the key properties of N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 220.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115601436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).