1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine

C7H14N4 — CID 82416521

IUPAC1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine
SMILESCc1nc(C(N)CN)c(C)[nH]1
InChIInChI=1S/C7H14N4/c1-4-7(6(9)3-8)11-5(2)10-4/h6H,3,8-9H2,1-2H3,(H,10,11)
InChIKeyFFXHTWZGPKHIHX-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.01
Rot. Bonds2

About 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine

1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine (PubChem CID 82416521) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine
PubChem CID82416521
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine
SMILESCc1nc(C(N)CN)c(C)[nH]1
InChIInChI=1S/C7H14N4/c1-4-7(6(9)3-8)11-5(2)10-4/h6H,3,8-9H2,1-2H3,(H,10,11)
InChIKeyFFXHTWZGPKHIHX-UHFFFAOYSA-N
XLogP-0.01
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine (CID 82416521) is 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine is Cc1nc(C(N)CN)c(C)[nH]1.
What is the InChIKey of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine?
The InChIKey is FFXHTWZGPKHIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-7(6(9)3-8)11-5(2)10-4/h6H,3,8-9H2,1-2H3,(H,10,11).
What are the key properties of 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine?
1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82416521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).