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

C17H20N4O — CID 11403716

IUPAC1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCOc1ccc(N(C)c2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C17H20N4O/c1-21(15-7-9-16(22-2)10-8-15)14-5-3-13(4-6-14)20-17-18-11-12-19-17/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyRQTFZZMYMVELQT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.83
Rot. Bonds4

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

1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 11403716) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine
PubChem CID11403716
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine
SMILESCOc1ccc(N(C)c2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C17H20N4O/c1-21(15-7-9-16(22-2)10-8-15)14-5-3-13(4-6-14)20-17-18-11-12-19-17/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyRQTFZZMYMVELQT-UHFFFAOYSA-N
XLogP2.83
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
N,N'-Bis-(4-butoxy-phenyl)-guanidine
CID 10594376
1,3,5-Triazine-2,4-diamine, 1-(4-ethoxyphenyl)-1,6-dihydro-6,6-dimethyl-
CID 409219
N,N'-bis-(4-Ethoxyphenyl)formamidine
CID 525811
1-(4-Butoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 153378
4-(4-methoxyphenyl)-N-phenylpiperazine-1-carbothioamide
CID 749205
6,6-Dimethyl-1-(4-pentoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 15289761
3-[3-(4-Cyclohexylpiperazin-1-YL)propyl]-1-(4-methoxyphenyl)thiourea
CID 12005199
N-[3-[4-(2-Fluorophenyl)-1-piperazinyl]propyl]-N'-(4-methoxyphenyl)urea
CID 16193511
N-(4-methoxyphenyl)imidazolidin-2-imine
CID 411679
N~2~-(4-ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 805323

Frequently Asked Questions

What is the IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine (CID 11403716) is 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine is COc1ccc(N(C)c2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is RQTFZZMYMVELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21(15-7-9-16(22-2)10-8-15)14-5-3-13(4-6-14)20-17-18-11-12-19-17/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine?
1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 296.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-(4-methoxyphenyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 11403716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).