N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

C15H20Cl2N4 — CID 42818937

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1nccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N4/c1-20(2)7-5-18-10-15-19-6-8-21(15)11-12-3-4-13(16)9-14(12)17/h3-4,6,8-9,18H,5,7,10-11H2,1-2H3
InChIKeyBLVJPOTYFQBEBK-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.89
Rot. Bonds7

About N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 42818937) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID42818937
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1nccn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N4/c1-20(2)7-5-18-10-15-19-6-8-21(15)11-12-3-4-13(16)9-14(12)17/h3-4,6,8-9,18H,5,7,10-11H2,1-2H3
InChIKeyBLVJPOTYFQBEBK-UHFFFAOYSA-N
XLogP2.89
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 42818937) is N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1nccn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is BLVJPOTYFQBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-20(2)7-5-18-10-15-19-6-8-21(15)11-12-3-4-13(16)9-14(12)17/h3-4,6,8-9,18H,5,7,10-11H2,1-2H3.
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 327.26 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 42818937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).