N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine

C14H20N4 — CID 84741656

IUPACN,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine
SMILESCNCC(c1cnc(-c2ccccc2)[nH]1)N(C)C
InChIInChI=1S/C14H20N4/c1-15-10-13(18(2)3)12-9-16-14(17-12)11-7-5-4-6-8-11/h4-9,13,15H,10H2,1-3H3,(H,16,17)
InChIKeyFKGWTVYUEYOGMZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.90
Rot. Bonds5

About N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine

N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine (PubChem CID 84741656) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine
PubChem CID84741656
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine
SMILESCNCC(c1cnc(-c2ccccc2)[nH]1)N(C)C
InChIInChI=1S/C14H20N4/c1-15-10-13(18(2)3)12-9-16-14(17-12)11-7-5-4-6-8-11/h4-9,13,15H,10H2,1-3H3,(H,16,17)
InChIKeyFKGWTVYUEYOGMZ-UHFFFAOYSA-N
XLogP1.90
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine (CID 84741656) is N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine is CNCC(c1cnc(-c2ccccc2)[nH]1)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine?
The InChIKey is FKGWTVYUEYOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-15-10-13(18(2)3)12-9-16-14(17-12)11-7-5-4-6-8-11/h4-9,13,15H,10H2,1-3H3,(H,16,17).
What are the key properties of N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-1-(2-phenyl-1H-imidazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 84741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).