2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine

C15H16N4 — CID 62483406

IUPAC2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine
SMILESCCc1nc(-c2cccc3ccccc23)c(N)n1N
InChIInChI=1S/C15H16N4/c1-2-13-18-14(15(16)19(13)17)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2,16-17H2,1H3
InChIKeyZZEZTCKTFQEOMR-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.56
Rot. Bonds2

About 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine

2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine (PubChem CID 62483406) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine
PubChem CID62483406
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine
SMILESCCc1nc(-c2cccc3ccccc23)c(N)n1N
InChIInChI=1S/C15H16N4/c1-2-13-18-14(15(16)19(13)17)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2,16-17H2,1H3
InChIKeyZZEZTCKTFQEOMR-UHFFFAOYSA-N
XLogP2.56
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine?
The IUPAC name of 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine (CID 62483406) is 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine.
What is the SMILES notation for 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine?
The canonical SMILES for 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine is CCc1nc(-c2cccc3ccccc23)c(N)n1N.
What is the InChIKey of 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine?
The InChIKey is ZZEZTCKTFQEOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-13-18-14(15(16)19(13)17)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2,16-17H2,1H3.
What are the key properties of 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine?
2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-naphthalen-1-ylimidazole-1,5-diamine is sourced from PubChem (CID 62483406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).