N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine

C14H20N4 — CID 106555123

IUPACN',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
SMILESCc1cn(-c2ccccc2)c(NCCN(C)C)n1
InChIInChI=1S/C14H20N4/c1-12-11-18(13-7-5-4-6-8-13)14(16-12)15-9-10-17(2)3/h4-8,11H,9-10H2,1-3H3,(H,15,16)
InChIKeyXNKPHJFZSNMUKV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds5

About N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine (PubChem CID 106555123) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
PubChem CID106555123
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
SMILESCc1cn(-c2ccccc2)c(NCCN(C)C)n1
InChIInChI=1S/C14H20N4/c1-12-11-18(13-7-5-4-6-8-13)14(16-12)15-9-10-17(2)3/h4-8,11H,9-10H2,1-3H3,(H,15,16)
InChIKeyXNKPHJFZSNMUKV-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-3-N-(4-methyl-1-phenylimidazol-2-yl)butane-1,3-diamine
CID 106567770
4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
CID 106581417
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
4-methyl-N-[2-(2-methylpropoxy)ethyl]-1-phenylimidazol-2-amine
CID 106582396
4-methyl-1-phenyl-N-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567558
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106575438
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-phenylimidazol-2-amine
CID 106573444
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine (CID 106555123) is N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine is Cc1cn(-c2ccccc2)c(NCCN(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is XNKPHJFZSNMUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-11-18(13-7-5-4-6-8-13)14(16-12)15-9-10-17(2)3/h4-8,11H,9-10H2,1-3H3,(H,15,16).
What are the key properties of N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methyl-1-phenylimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106555123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).