1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine

C15H15N3 — CID 106565464

IUPAC1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine
SMILESCc1cn(C)c(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H15N3/c1-11-10-18(2)15(16-11)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3,(H,16,17)
InChIKeyMCAJOQRBAOTIID-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.63
Rot. Bonds2

About 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine

1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine (PubChem CID 106565464) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine
PubChem CID106565464
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine
SMILESCc1cn(C)c(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H15N3/c1-11-10-18(2)15(16-11)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3,(H,16,17)
InChIKeyMCAJOQRBAOTIID-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine?
The IUPAC name of 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine (CID 106565464) is 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine.
What is the SMILES notation for 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine?
The canonical SMILES for 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine is Cc1cn(C)c(Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine?
The InChIKey is MCAJOQRBAOTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-10-18(2)15(16-11)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-10H,1-2H3,(H,16,17).
What are the key properties of 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine?
1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine has a molecular weight of 237.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-naphthalen-2-ylimidazol-2-amine is sourced from PubChem (CID 106565464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).