chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline

C14H21ClN5+ — CID 143053640

IUPACchloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
SMILESCCl.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1
InChIInChI=1S/C13H18N5.CH3Cl/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2/h5-10H,1-4H3;1H3/q+1;
InChIKeyQDWCTDKWUFCVPI-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.19
Rot. Bonds3

About chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline

chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline (PubChem CID 143053640) has the molecular formula C14H21ClN5+ and a molecular weight of 294.81 g/mol. Its IUPAC name is chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Namechloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
PubChem CID143053640
Molecular FormulaC14H21ClN5+
Molecular Weight294.81 g/mol
Exact Mass294.15
IUPAC Namechloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
SMILESCCl.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1
InChIInChI=1S/C13H18N5.CH3Cl/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2/h5-10H,1-4H3;1H3/q+1;
InChIKeyQDWCTDKWUFCVPI-UHFFFAOYSA-N
XLogP3.19
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
CID 58785058
chloromethane;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene
CID 145155356
bis(5-chloro-2-N,4-N,6-N-tris[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-2-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine);hexachloride
CID 140772057
5-chloro-2-N,4-N,6-N-tris[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-2-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine trichloride
CID 21099892
3-[N-(2-cyanoethyl)-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]propanenitrile
CID 22957477
N-chloro-N'-[4-(chloroamino)butyl]-N'-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butane-1,4-diamine
CID 163804345
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene;N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
CID 172976061
4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline;4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;dichloride
CID 172917726
3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-[3-(trimethylazaniumyl)propyl]anilino]propyl-trimethylazanium
CID 59146689
4-[[1-(5-aminopentyl)-3-methylimidazol-3-ium-2-yl]diazenyl]-N,N-dimethylaniline
CID 122549887
4-[N-(4-azaniumylbutyl)-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]butylazanium;dichloride;iodide
CID 140900688
4-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
CID 59180987

Frequently Asked Questions

What is the IUPAC name of chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline (CID 143053640) is chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline is CCl.CN(C)c1ccc(/N=N/c2n(C)cc[n+]2C)cc1.
What is the InChIKey of chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
The InChIKey is QDWCTDKWUFCVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N5.CH3Cl/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2/h5-10H,1-4H3;1H3/q+1;.
What are the key properties of chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline has a molecular weight of 294.81 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 143053640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).