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

C11H16N4 — CID 25209509

IUPAC4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine
SMILESCCNc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C11H16N4/c1-2-12-9-3-5-10(6-4-9)15-11-13-7-8-14-11/h3-6,12H,2,7-8H2,1H3,(H2,13,14,15)
InChIKeyAEDGYKKUCHJGJO-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.49
Rot. Bonds3

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

4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine (PubChem CID 25209509) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine
PubChem CID25209509
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine
SMILESCCNc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C11H16N4/c1-2-12-9-3-5-10(6-4-9)15-11-13-7-8-14-11/h3-6,12H,2,7-8H2,1H3,(H2,13,14,15)
InChIKeyAEDGYKKUCHJGJO-UHFFFAOYSA-N
XLogP1.49
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine (CID 25209509) is 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine is CCNc1ccc(NC2=NCCN2)cc1.
What is the InChIKey of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine?
The InChIKey is AEDGYKKUCHJGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-12-9-3-5-10(6-4-9)15-11-13-7-8-14-11/h3-6,12H,2,7-8H2,1H3,(H2,13,14,15).
What are the key properties of 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine?
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine is sourced from PubChem (CID 25209509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).