N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine

C17H20Cl2N5+ — CID 71588709

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine
SMILESClc1ccc(CN(CCn2ccnc2)CC[n+]2cc[nH]c2)c(Cl)c1
InChIInChI=1S/C17H19Cl2N5/c18-16-2-1-15(17(19)11-16)12-22(7-9-23-5-3-20-13-23)8-10-24-6-4-21-14-24/h1-6,11,13-14H,7-10,12H2/p+1
InChIKeyGBIGIWYLVPYNEL-UHFFFAOYSA-O
MW365.29 g/mol
LogP3.01
Rot. Bonds8

About N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine

N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine (PubChem CID 71588709) has the molecular formula C17H20Cl2N5+ and a molecular weight of 365.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine
PubChem CID71588709
Molecular FormulaC17H20Cl2N5+
Molecular Weight365.29 g/mol
Exact Mass364.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine
SMILESClc1ccc(CN(CCn2ccnc2)CC[n+]2cc[nH]c2)c(Cl)c1
InChIInChI=1S/C17H19Cl2N5/c18-16-2-1-15(17(19)11-16)12-22(7-9-23-5-3-20-13-23)8-10-24-6-4-21-14-24/h1-6,11,13-14H,7-10,12H2/p+1
InChIKeyGBIGIWYLVPYNEL-UHFFFAOYSA-O
XLogP3.01
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine 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-(4-chlorobenzyl)-1H-imidazole
CID 2779191
KRH-3955 free base
CID 11950261
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-imidazole
CID 5937184
2-(4-chlorophenyl)-1H-imidazole
CID 242948
1-[(R)-[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 76327863
N-(3,4-dichlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]amine
CID 5138252
N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine
CID 10253296
Aliconazole
CID 6436097
1-[[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 465996
1-[(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 466001
N-[(4-chlorophenyl)methyl]-5-(1H-imidazol-5-yl)pentan-1-amine
CID 10446240
N-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)butan-1-amine
CID 11673377

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine (CID 71588709) is N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine is Clc1ccc(CN(CCn2ccnc2)CC[n+]2cc[nH]c2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine?
The InChIKey is GBIGIWYLVPYNEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19Cl2N5/c18-16-2-1-15(17(19)11-16)12-22(7-9-23-5-3-20-13-23)8-10-24-6-4-21-14-24/h1-6,11,13-14H,7-10,12H2/p+1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine?
N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine has a molecular weight of 365.29 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 71588709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).