1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride

C13H16Cl3N3 — CID 159721712

IUPAC1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride
SMILESC/N=c1\n(C)c(C)c(C)n1-c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H15Cl2N3.ClH/c1-8-9(2)18(13(16-3)17(8)4)10-5-6-11(14)12(15)7-10;/h5-7H,1-4H3;1H/b16-13+;
InChIKeyNACURGXPPDWIMJ-ZUQRMPMESA-N
MW320.65 g/mol
LogP3.69
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride

1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride (PubChem CID 159721712) has the molecular formula C13H16Cl3N3 and a molecular weight of 320.65 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride
PubChem CID159721712
Molecular FormulaC13H16Cl3N3
Molecular Weight320.65 g/mol
Exact Mass319.04
IUPAC Name1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride
SMILESC/N=c1\n(C)c(C)c(C)n1-c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H15Cl2N3.ClH/c1-8-9(2)18(13(16-3)17(8)4)10-5-6-11(14)12(15)7-10;/h5-7H,1-4H3;1H/b16-13+;
InChIKeyNACURGXPPDWIMJ-ZUQRMPMESA-N
XLogP3.69
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983273
[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 900416
2-(2-chloroethyl)-3-(3,4-dichlorophenyl)-5-methylimidazo[4,5-b]pyridine
CID 81141074
1-(3,4-dichlorophenyl)-7-methyl-8-methylsulfanyl-3H-purine-2,6-dione
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4-(3,4-dichlorophenyl)-1,2,6-trimethylpiperazine
CID 11514596
5-(2-chloroethyl)-6-(3,4-dichlorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79273150
4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
CID 61272535
4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107617166
3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770705
2-(3,4-dichlorophenyl)-5,6-dimethyl-1,3-dihydroisoindole
CID 954435
4-(3-bromo-2,5-dimethylpyrrol-1-yl)-2-chloroaniline
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1,4-bis(3,4-dichlorophenyl)-3,5-dimethylpyrazole
CID 50884234

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride (CID 159721712) is 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride is C/N=c1\n(C)c(C)c(C)n1-c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride?
The InChIKey is NACURGXPPDWIMJ-ZUQRMPMESA-N. The full InChI is InChI=1S/C13H15Cl2N3.ClH/c1-8-9(2)18(13(16-3)17(8)4)10-5-6-11(14)12(15)7-10;/h5-7H,1-4H3;1H/b16-13+;.
What are the key properties of 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride?
1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride has a molecular weight of 320.65 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,3,4,5-tetramethylimidazol-2-imine;hydrochloride is sourced from PubChem (CID 159721712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).