1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine

C15H14BrN3 — CID 106579810

IUPAC1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H14BrN3/c1-2-17-15-18-9-10-19(15)14-8-7-13(16)11-5-3-4-6-12(11)14/h3-10H,2H2,1H3,(H,17,18)
InChIKeyUGQVAOUFSYNGNQ-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.22
Rot. Bonds3

About 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine

1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine (PubChem CID 106579810) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
PubChem CID106579810
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C15H14BrN3/c1-2-17-15-18-9-10-19(15)14-8-7-13(16)11-5-3-4-6-12(11)14/h3-10H,2H2,1H3,(H,17,18)
InChIKeyUGQVAOUFSYNGNQ-UHFFFAOYSA-N
XLogP4.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
N-ethyl-1-isoquinolin-5-ylimidazol-2-amine
CID 106562839
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
CID 106555620
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine (CID 106579810) is 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine is CCNc1nccn1-c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine?
The InChIKey is UGQVAOUFSYNGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-2-17-15-18-9-10-19(15)14-8-7-13(16)11-5-3-4-6-12(11)14/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine?
1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine has a molecular weight of 316.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine is sourced from PubChem (CID 106579810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).