N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline

C16H21Cl2N3O — CID 23350189

IUPACN-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline
SMILESCCCCOC(CNc1ccc(Cl)c(Cl)c1)Cn1ccnc1
InChIInChI=1S/C16H21Cl2N3O/c1-2-3-8-22-14(11-21-7-6-19-12-21)10-20-13-4-5-15(17)16(18)9-13/h4-7,9,12,14,20H,2-3,8,10-11H2,1H3
InChIKeyFUTFRJFRZXPACZ-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.49
Rot. Bonds9

About N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline

N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline (PubChem CID 23350189) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline.

Molecular Properties

Compound NameN-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline
PubChem CID23350189
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC NameN-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline
SMILESCCCCOC(CNc1ccc(Cl)c(Cl)c1)Cn1ccnc1
InChIInChI=1S/C16H21Cl2N3O/c1-2-3-8-22-14(11-21-7-6-19-12-21)10-20-13-4-5-15(17)16(18)9-13/h4-7,9,12,14,20H,2-3,8,10-11H2,1H3
InChIKeyFUTFRJFRZXPACZ-UHFFFAOYSA-N
XLogP4.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline 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

1-[3-butylsulfanyl-2-[(2,4,5-trichlorophenyl)methoxy]propyl]imidazole
CID 54303602
1-(3-butoxy-2-methoxypropyl)imidazole
CID 163854662
1-[2-decoxy-3-[(4-fluorophenyl)methylsulfanyl]propyl]imidazole
CID 54081169
1-[4-(4-fluorophenyl)-2-undecoxybutyl]imidazole
CID 21415077
1-[4-(4-fluorophenyl)-2-octoxybutyl]imidazole
CID 21415280
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
CID 54487741
1-[2-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54183538
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[2-(3,4-dichlorophenyl)sulfanyl-2-hexoxypropyl]imidazole
CID 54487448
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
1-[3-(3,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415170

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline?
The IUPAC name of N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline (CID 23350189) is N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline.
What is the SMILES notation for N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline?
The canonical SMILES for N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline is CCCCOC(CNc1ccc(Cl)c(Cl)c1)Cn1ccnc1.
What is the InChIKey of N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline?
The InChIKey is FUTFRJFRZXPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c1-2-3-8-22-14(11-21-7-6-19-12-21)10-20-13-4-5-15(17)16(18)9-13/h4-7,9,12,14,20H,2-3,8,10-11H2,1H3.
What are the key properties of N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline?
N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline has a molecular weight of 342.27 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-3-imidazol-1-ylpropyl)-3,4-dichloroaniline is sourced from PubChem (CID 23350189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).