2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine

C13H18N4 — CID 62483396

IUPAC2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine
SMILESCCc1nc(C(C)c2ccccc2)c(N)n1N
InChIInChI=1S/C13H18N4/c1-3-11-16-12(13(14)17(11)15)9(2)10-7-5-4-6-8-10/h4-9H,3,14-15H2,1-2H3
InChIKeyLGUBJDHPVYXWOX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.89
Rot. Bonds3

About 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine

2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine (PubChem CID 62483396) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine
PubChem CID62483396
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine
SMILESCCc1nc(C(C)c2ccccc2)c(N)n1N
InChIInChI=1S/C13H18N4/c1-3-11-16-12(13(14)17(11)15)9(2)10-7-5-4-6-8-10/h4-9H,3,14-15H2,1-2H3
InChIKeyLGUBJDHPVYXWOX-UHFFFAOYSA-N
XLogP1.89
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine?
The IUPAC name of 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine (CID 62483396) is 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine?
The canonical SMILES for 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine is CCc1nc(C(C)c2ccccc2)c(N)n1N.
What is the InChIKey of 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine?
The InChIKey is LGUBJDHPVYXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-11-16-12(13(14)17(11)15)9(2)10-7-5-4-6-8-10/h4-9H,3,14-15H2,1-2H3.
What are the key properties of 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine?
2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-phenylethyl)imidazole-1,5-diamine is sourced from PubChem (CID 62483396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).