4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine

C18H19N3 — CID 106571379

IUPAC4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1cccc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-11-21-13-14(2)20-18(21)19-12-16-9-6-8-15-7-4-5-10-17(15)16/h3-10,13H,1,11-12H2,2H3,(H,19,20)
InChIKeyNOQPXTIAWLLGKU-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.14
Rot. Bonds5

About 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine

4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106571379) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106571379
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1cccc2ccccc12
InChIInChI=1S/C18H19N3/c1-3-11-21-13-14(2)20-18(21)19-12-16-9-6-8-15-7-4-5-10-17(15)16/h3-10,13H,1,11-12H2,2H3,(H,19,20)
InChIKeyNOQPXTIAWLLGKU-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.14
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 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine (CID 106571379) is 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NCc1cccc2ccccc12.
What is the InChIKey of 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is NOQPXTIAWLLGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-11-21-13-14(2)20-18(21)19-12-16-9-6-8-15-7-4-5-10-17(15)16/h3-10,13H,1,11-12H2,2H3,(H,19,20).
What are the key properties of 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine?
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106571379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).