1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine

C12H18N4 — CID 25209826

IUPAC1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine
SMILESCCN(C)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyIQXOTOMLRTYVLQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.51
Rot. Bonds3

About 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine

1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine (PubChem CID 25209826) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine
PubChem CID25209826
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine
SMILESCCN(C)c1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyIQXOTOMLRTYVLQ-UHFFFAOYSA-N
XLogP1.51
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine (CID 25209826) is 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine is CCN(C)c1ccc(NC2=NCCN2)cc1.
What is the InChIKey of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine?
The InChIKey is IQXOTOMLRTYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine?
1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 25209826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).