2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine

C22H21N5 — CID 101498779

IUPAC2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine
SMILESCCn1ccnc1/N=N/c1ccc2ccccc2c1Nc1ccc(C)cc1
InChIInChI=1S/C22H21N5/c1-3-27-15-14-23-22(27)26-25-20-13-10-17-6-4-5-7-19(17)21(20)24-18-11-8-16(2)9-12-18/h4-15,24H,3H2,1-2H3/b26-25+
InChIKeyHAYLAUIKIGNOAW-OCEACIFDSA-N
MW355.45 g/mol
LogP6.52
Rot. Bonds5

About 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine

2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 101498779) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine
PubChem CID101498779
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine
SMILESCCn1ccnc1/N=N/c1ccc2ccccc2c1Nc1ccc(C)cc1
InChIInChI=1S/C22H21N5/c1-3-27-15-14-23-22(27)26-25-20-13-10-17-6-4-5-7-19(17)21(20)24-18-11-8-16(2)9-12-18/h4-15,24H,3H2,1-2H3/b26-25+
InChIKeyHAYLAUIKIGNOAW-OCEACIFDSA-N
XLogP6.52
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 91388045
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
N-(4-methylphenyl)isoquinolin-1-amine;dihydrate
CID 51057775
(1-ethylimidazol-2-yl)-(4-methoxyphenyl)diazene
CID 12984428
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
2-(4-methylanilino)naphthalene-1-carbaldehyde
CID 135023632
N-(4-chlorophenyl)-5-(1-ethylimidazol-2-yl)pyridin-2-amine
CID 24783986
1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid
CID 62138617
[2-(1-ethylimidazol-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213300
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
1-N-[4-[4-(4-methylanilino)-N-phenanthren-4-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338180

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine (CID 101498779) is 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine is CCn1ccnc1/N=N/c1ccc2ccccc2c1Nc1ccc(C)cc1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine?
The InChIKey is HAYLAUIKIGNOAW-OCEACIFDSA-N. The full InChI is InChI=1S/C22H21N5/c1-3-27-15-14-23-22(27)26-25-20-13-10-17-6-4-5-7-19(17)21(20)24-18-11-8-16(2)9-12-18/h4-15,24H,3H2,1-2H3/b26-25+.
What are the key properties of 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine?
2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 355.45 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)diazenyl]-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 101498779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).