2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine

C11H16N4 — CID 70485899

IUPAC2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine
SMILESCC1=NCCN1Nc1ccc(N)cc1C
InChIInChI=1S/C11H16N4/c1-8-7-10(12)3-4-11(8)14-15-6-5-13-9(15)2/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyPOYGCVCGMRZJOZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.64
Rot. Bonds2

About 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine

2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine (PubChem CID 70485899) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine
PubChem CID70485899
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine
SMILESCC1=NCCN1Nc1ccc(N)cc1C
InChIInChI=1S/C11H16N4/c1-8-7-10(12)3-4-11(8)14-15-6-5-13-9(15)2/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyPOYGCVCGMRZJOZ-UHFFFAOYSA-N
XLogP1.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine (CID 70485899) is 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine is CC1=NCCN1Nc1ccc(N)cc1C.
What is the InChIKey of 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine?
The InChIKey is POYGCVCGMRZJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-7-10(12)3-4-11(8)14-15-6-5-13-9(15)2/h3-4,7,14H,5-6,12H2,1-2H3.
What are the key properties of 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine?
2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(2-methyl-4,5-dihydroimidazol-1-yl)benzene-1,4-diamine is sourced from PubChem (CID 70485899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).