2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine

C17H17N3 — CID 62224177

IUPAC2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cccc3ccccc23)c1N
InChIInChI=1S/C17H17N3/c1-3-11-20-12(2)19-16(17(20)18)15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1,11,18H2,2H3
InChIKeyRYDKAFKBOJOPFB-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.78
Rot. Bonds3

About 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine

2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine (PubChem CID 62224177) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine
PubChem CID62224177
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C)nc(-c2cccc3ccccc23)c1N
InChIInChI=1S/C17H17N3/c1-3-11-20-12(2)19-16(17(20)18)15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1,11,18H2,2H3
InChIKeyRYDKAFKBOJOPFB-UHFFFAOYSA-N
XLogP3.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine (CID 62224177) is 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C)nc(-c2cccc3ccccc23)c1N.
What is the InChIKey of 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine?
The InChIKey is RYDKAFKBOJOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-11-20-12(2)19-16(17(20)18)15-10-6-8-13-7-4-5-9-14(13)15/h3-10H,1,11,18H2,2H3.
What are the key properties of 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine?
2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62224177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).