N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

C22H25Cl2FN4 — CID 11952316

IUPACN'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2FN4/c1-27(2)8-9-28(14-17-4-3-5-21(25)12-17)16-22-26-6-7-29(22)15-18-10-19(23)13-20(24)11-18/h3-7,10-13H,8-9,14-16H2,1-2H3
InChIKeyUGKMEJJUOAEMCA-UHFFFAOYSA-N
MW435.37 g/mol
LogP4.94
Rot. Bonds9

About N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 11952316) has the molecular formula C22H25Cl2FN4 and a molecular weight of 435.37 g/mol. Its IUPAC name is N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID11952316
Molecular FormulaC22H25Cl2FN4
Molecular Weight435.37 g/mol
Exact Mass434.14
IUPAC NameN'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2FN4/c1-27(2)8-9-28(14-17-4-3-5-21(25)12-17)16-22-26-6-7-29(22)15-18-10-19(23)13-20(24)11-18/h3-7,10-13H,8-9,14-16H2,1-2H3
InChIKeyUGKMEJJUOAEMCA-UHFFFAOYSA-N
XLogP4.94
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 11952316) is N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is UGKMEJJUOAEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2FN4/c1-27(2)8-9-28(14-17-4-3-5-21(25)12-17)16-22-26-6-7-29(22)15-18-10-19(23)13-20(24)11-18/h3-7,10-13H,8-9,14-16H2,1-2H3.
What are the key properties of N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 435.37 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[(3,5-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N'-[(3-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 11952316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).