4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine

C14H20N4 — CID 106571683

IUPAC4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ncc(C)[nH]2)cc1
InChIInChI=1S/C14H20N4/c1-4-18(5-2)13-8-6-12(7-9-13)17-14-15-10-11(3)16-14/h6-10H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyOUWXTLJKBBZJGJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.31
Rot. Bonds5

About 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine (PubChem CID 106571683) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine
PubChem CID106571683
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2ncc(C)[nH]2)cc1
InChIInChI=1S/C14H20N4/c1-4-18(5-2)13-8-6-12(7-9-13)17-14-15-10-11(3)16-14/h6-10H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyOUWXTLJKBBZJGJ-UHFFFAOYSA-N
XLogP3.31
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-(diethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80828929
4-N-[4-(diethylamino)phenyl]pyrimidine-4,5-diamine
CID 79918177
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
1-N-(6-bromo-2-pyridinyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 63963887
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
1-N-(2,6-dimethylpyrimidin-4-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 22695662
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]methanesulfonamide
CID 113020978
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-N-[4-(diethylamino)phenyl]-6-methylpyridine-2,5-diamine
CID 79020665
4-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 80828137
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine (CID 106571683) is 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2ncc(C)[nH]2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine?
The InChIKey is OUWXTLJKBBZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-18(5-2)13-8-6-12(7-9-13)17-14-15-10-11(3)16-14/h6-10H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 106571683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).