4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline

C20H24N4 — CID 57036170

IUPAC4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline
SMILESCCN(CC)c1ccc(-c2nc[nH]c2-c2ccc(NC)cc2)cc1
InChIInChI=1S/C20H24N4/c1-4-24(5-2)18-12-8-16(9-13-18)20-19(22-14-23-20)15-6-10-17(21-3)11-7-15/h6-14,21H,4-5H2,1-3H3,(H,22,23)
InChIKeyGKDSGJVPQJYGNI-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.63
Rot. Bonds6

About 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline

4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline (PubChem CID 57036170) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline
PubChem CID57036170
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline
SMILESCCN(CC)c1ccc(-c2nc[nH]c2-c2ccc(NC)cc2)cc1
InChIInChI=1S/C20H24N4/c1-4-24(5-2)18-12-8-16(9-13-18)20-19(22-14-23-20)15-6-10-17(21-3)11-7-15/h6-14,21H,4-5H2,1-3H3,(H,22,23)
InChIKeyGKDSGJVPQJYGNI-UHFFFAOYSA-N
XLogP4.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-fluoroaniline
CID 592416
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
CID 110772496
4-N,4-N-diethyl-1-N-(5-methyl-1H-imidazol-2-yl)benzene-1,4-diamine
CID 106571683
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
4-chloro-N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 59728118
4-N,4-N-diethyl-1-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 43680171
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline?
The IUPAC name of 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline (CID 57036170) is 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline.
What is the SMILES notation for 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline?
The canonical SMILES for 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline is CCN(CC)c1ccc(-c2nc[nH]c2-c2ccc(NC)cc2)cc1.
What is the InChIKey of 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline?
The InChIKey is GKDSGJVPQJYGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-4-24(5-2)18-12-8-16(9-13-18)20-19(22-14-23-20)15-6-10-17(21-3)11-7-15/h6-14,21H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline?
4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline has a molecular weight of 320.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(diethylamino)phenyl]-1H-imidazol-5-yl]-N-methylaniline is sourced from PubChem (CID 57036170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).