5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile

C19H26N6 — CID 20650631

IUPAC5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile
SMILESCCCN(CCC)c1ccc(/N=N/c2ncn(CC)c2C#N)c(C)c1
InChIInChI=1S/C19H26N6/c1-5-10-25(11-6-2)16-8-9-17(15(4)12-16)22-23-19-18(13-20)24(7-3)14-21-19/h8-9,12,14H,5-7,10-11H2,1-4H3/b23-22+
InChIKeyYNSUHJLVPKAEDJ-GHVJWSGMSA-N
MW338.46 g/mol
LogP5.12
Rot. Bonds8

About 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile

5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile (PubChem CID 20650631) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile
PubChem CID20650631
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile
SMILESCCCN(CCC)c1ccc(/N=N/c2ncn(CC)c2C#N)c(C)c1
InChIInChI=1S/C19H26N6/c1-5-10-25(11-6-2)16-8-9-17(15(4)12-16)22-23-19-18(13-20)24(7-3)14-21-19/h8-9,12,14H,5-7,10-11H2,1-4H3/b23-22+
InChIKeyYNSUHJLVPKAEDJ-GHVJWSGMSA-N
XLogP5.12
TPSA69.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]-3-methyl-N,N-dipropylaniline
CID 18737351
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821
4-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethyl-3-methylanilino]butanoate
CID 20846238
4-(dipropylamino)-2-fluorobenzonitrile
CID 115366969
3-[N-ethyl-3-methyl-4-(1H-1,2,4-triazol-5-yldiazenyl)anilino]propyl methyl sulfate
CID 162055077
5-[[4-[2-(2-hydroxyethoxy)ethyl-[2-(2-propoxyethoxy)ethyl]amino]-2-methylphenyl]diazenyl]-3-methylthiophene-2,4-dicarbonitrile
CID 160775583
[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
CID 135608509
2-[4-[(2,5-difluorophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 4164065
4-[4-[(3,5-dicyano-4-methylthiophen-2-yl)diazenyl]-N-ethyl-3-methylanilino]butyl-triethylazanium
CID 118088169
3-[4-[(5,7-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile
CID 165341189
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile?
The IUPAC name of 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile (CID 20650631) is 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile.
What is the SMILES notation for 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile?
The canonical SMILES for 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile is CCCN(CCC)c1ccc(/N=N/c2ncn(CC)c2C#N)c(C)c1.
What is the InChIKey of 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile?
The InChIKey is YNSUHJLVPKAEDJ-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H26N6/c1-5-10-25(11-6-2)16-8-9-17(15(4)12-16)22-23-19-18(13-20)24(7-3)14-21-19/h8-9,12,14H,5-7,10-11H2,1-4H3/b23-22+.
What are the key properties of 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile?
5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile has a molecular weight of 338.46 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dipropylamino)-2-methylphenyl]diazenyl]-3-ethylimidazole-4-carbonitrile is sourced from PubChem (CID 20650631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).