2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine

C16H19N3 — CID 62881778

IUPAC2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CC)nc(CCc2ccccc2)c1N
InChIInChI=1S/C16H19N3/c1-3-12-19-15(4-2)18-14(16(19)17)11-10-13-8-6-5-7-9-13/h1,5-9H,4,10-12,17H2,2H3
InChIKeyJRTOSUXAROZNBY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.45
Rot. Bonds5

About 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine

2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 62881778) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine
PubChem CID62881778
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CC)nc(CCc2ccccc2)c1N
InChIInChI=1S/C16H19N3/c1-3-12-19-15(4-2)18-14(16(19)17)11-10-13-8-6-5-7-9-13/h1,5-9H,4,10-12,17H2,2H3
InChIKeyJRTOSUXAROZNBY-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine
CID 62881439
3-benzyl-2-ethyl-5-propylimidazol-4-amine
CID 55048826
5-(2,3-dimethylphenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 55048825
5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 62219042
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
5-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 63618978
5-benzyl-2-cyclopentyl-3-prop-2-ynylimidazol-4-amine
CID 62222430
3-methyl-2-phenyl-5-(2-phenylethyl)imidazol-4-amine
CID 62879904
5-benzyl-3-butyl-2-propylimidazol-4-amine
CID 62218715
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 53275789
3-butyl-2-ethyl-5-heptylimidazol-4-amine
CID 63469087
5-benzyl-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62219770

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine (CID 62881778) is 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CC)nc(CCc2ccccc2)c1N.
What is the InChIKey of 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is JRTOSUXAROZNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-12-19-15(4-2)18-14(16(19)17)11-10-13-8-6-5-7-9-13/h1,5-9H,4,10-12,17H2,2H3.
What are the key properties of 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine?
2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-phenylethyl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 62881778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).