3-methyl-5-naphthalen-1-ylimidazol-4-amine

C14H13N3 — CID 62017336

IUPAC3-methyl-5-naphthalen-1-ylimidazol-4-amine
SMILESCn1cnc(-c2cccc3ccccc23)c1N
InChIInChI=1S/C14H13N3/c1-17-9-16-13(14(17)15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,15H2,1H3
InChIKeyOPXBXGBWCFMDMN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.82
Rot. Bonds1

About 3-methyl-5-naphthalen-1-ylimidazol-4-amine

3-methyl-5-naphthalen-1-ylimidazol-4-amine (PubChem CID 62017336) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-5-naphthalen-1-ylimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-naphthalen-1-ylimidazol-4-amine
PubChem CID62017336
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-methyl-5-naphthalen-1-ylimidazol-4-amine
SMILESCn1cnc(-c2cccc3ccccc23)c1N
InChIInChI=1S/C14H13N3/c1-17-9-16-13(14(17)15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,15H2,1H3
InChIKeyOPXBXGBWCFMDMN-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-naphthalen-1-ylimidazol-4-amine?
The IUPAC name of 3-methyl-5-naphthalen-1-ylimidazol-4-amine (CID 62017336) is 3-methyl-5-naphthalen-1-ylimidazol-4-amine.
What is the SMILES notation for 3-methyl-5-naphthalen-1-ylimidazol-4-amine?
The canonical SMILES for 3-methyl-5-naphthalen-1-ylimidazol-4-amine is Cn1cnc(-c2cccc3ccccc23)c1N.
What is the InChIKey of 3-methyl-5-naphthalen-1-ylimidazol-4-amine?
The InChIKey is OPXBXGBWCFMDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17-9-16-13(14(17)15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,15H2,1H3.
What are the key properties of 3-methyl-5-naphthalen-1-ylimidazol-4-amine?
3-methyl-5-naphthalen-1-ylimidazol-4-amine has a molecular weight of 223.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-naphthalen-1-ylimidazol-4-amine is sourced from PubChem (CID 62017336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).