3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine

C17H25N3 — CID 62881439

IUPAC3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(CCc2ccccc2)c1N
InChIInChI=1S/C17H25N3/c1-3-5-13-20-16(4-2)19-15(17(20)18)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13,18H2,1-2H3
InChIKeyFHRSDIMDJLIMGO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.61
Rot. Bonds7

About 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine

3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine (PubChem CID 62881439) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine
PubChem CID62881439
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine
SMILESCCCCn1c(CC)nc(CCc2ccccc2)c1N
InChIInChI=1S/C17H25N3/c1-3-5-13-20-16(4-2)19-15(17(20)18)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13,18H2,1-2H3
InChIKeyFHRSDIMDJLIMGO-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine (CID 62881439) is 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine is CCCCn1c(CC)nc(CCc2ccccc2)c1N.
What is the InChIKey of 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine?
The InChIKey is FHRSDIMDJLIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-5-13-20-16(4-2)19-15(17(20)18)12-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13,18H2,1-2H3.
What are the key properties of 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine?
3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine is sourced from PubChem (CID 62881439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).