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

C11H14N4 — CID 2807041

IUPACN-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=NNC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H14N4/c1-9(10-5-3-2-4-6-10)14-15-11-12-7-8-13-11/h2-6H,7-8H2,1H3,(H2,12,13,15)
InChIKeyPDXXTZJRUYDIFK-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.96
Rot. Bonds2

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

N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 2807041) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID2807041
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(=NNC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H14N4/c1-9(10-5-3-2-4-6-10)14-15-11-12-7-8-13-11/h2-6H,7-8H2,1H3,(H2,12,13,15)
InChIKeyPDXXTZJRUYDIFK-UHFFFAOYSA-N
XLogP0.96
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)ethan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 9583613
1-phenylethan-1-one 1-(4,5-dihydro-1H-imidazol-2-yl)hydrazone
CID 9583612
4-tert-butylbenzaldehyde 4,5-dihydro-1H-imidazol-2-yl(methyl)hydrazone
CID 9648279
N-[(E)-[4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 45263576
N-[(E)-(2,6-dimethylphenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 13975372
N-(2,3-dihydroinden-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
CID 2807044
N-[(E)-1-[3-[(E)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 45261946
N-[1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 2797392
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-4,5-dihydro-1H-imidazol-2-amine
CID 2807043
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5712458
N-[(Z)-1-phenylethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5714211
N-[(E)-1-phenylethylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 9582909

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine (CID 2807041) is N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine is CC(=NNC1=NCCN1)c1ccccc1.
What is the InChIKey of N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PDXXTZJRUYDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9(10-5-3-2-4-6-10)14-15-11-12-7-8-13-11/h2-6H,7-8H2,1H3,(H2,12,13,15).
What are the key properties of N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine?
N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 202.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethylideneamino)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 2807041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).