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

C15H22N4 — CID 106553950

IUPACN'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
SMILESCCc1cn(-c2ccccc2)c(N(CC)CCN)n1
InChIInChI=1S/C15H22N4/c1-3-13-12-19(14-8-6-5-7-9-14)15(17-13)18(4-2)11-10-16/h5-9,12H,3-4,10-11,16H2,1-2H3
InChIKeyXZSXRBUOMWTIDN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.22
Rot. Bonds6

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

N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine (PubChem CID 106553950) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
PubChem CID106553950
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine
SMILESCCc1cn(-c2ccccc2)c(N(CC)CCN)n1
InChIInChI=1S/C15H22N4/c1-3-13-12-19(14-8-6-5-7-9-14)15(17-13)18(4-2)11-10-16/h5-9,12H,3-4,10-11,16H2,1-2H3
InChIKeyXZSXRBUOMWTIDN-UHFFFAOYSA-N
XLogP2.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-(4-ethyl-1-propylimidazol-2-yl)ethane-1,2-diamine
CID 106553982
2-bromo-4-ethyl-1-phenylimidazole
CID 171075247
1-(4-ethyl-1-phenylimidazol-2-yl)piperidin-4-amine
CID 106551855
N'-(1,4-diethylimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 106552475
N'-ethyl-N'-quinolin-8-ylethane-1,2-diamine
CID 114900586
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
N'-ethyl-N'-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]ethane-1,2-diamine
CID 106553976
N'-ethyl-N'-isoquinolin-8-ylethane-1,2-diamine
CID 103140755
N,N-diethyl-1-phenylimidazol-4-amine
CID 175089225
N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
3-[ethyl-(1-phenyltetrazol-5-yl)amino]propanethioamide
CID 54992501

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine (CID 106553950) is N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine is CCc1cn(-c2ccccc2)c(N(CC)CCN)n1.
What is the InChIKey of N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
The InChIKey is XZSXRBUOMWTIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-13-12-19(14-8-6-5-7-9-14)15(17-13)18(4-2)11-10-16/h5-9,12H,3-4,10-11,16H2,1-2H3.
What are the key properties of N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-ethyl-1-phenylimidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106553950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).