(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine

C16H16BrN3 — CID 104943675

IUPAC(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H16BrN3/c1-2-14(18)16-9-19-10-20(16)15-8-7-13(17)11-5-3-4-6-12(11)15/h3-10,14H,2,18H2,1H3/t14-/m1/s1
InChIKeyJOCQVEHSZACGQZ-CQSZACIVSA-N
MW330.23 g/mol
LogP4.20
Rot. Bonds3

About (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104943675) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine
PubChem CID104943675
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H16BrN3/c1-2-14(18)16-9-19-10-20(16)15-8-7-13(17)11-5-3-4-6-12(11)15/h3-10,14H,2,18H2,1H3/t14-/m1/s1
InChIKeyJOCQVEHSZACGQZ-CQSZACIVSA-N
XLogP4.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
CID 104942155
1-(3-naphthalen-1-ylimidazol-4-yl)ethanamine
CID 114702749
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
CID 104941719
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703108
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
CID 104943472

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine (CID 104943675) is (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1ccc(Br)c2ccccc12.
What is the InChIKey of (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is JOCQVEHSZACGQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-2-14(18)16-9-19-10-20(16)15-8-7-13(17)11-5-3-4-6-12(11)15/h3-10,14H,2,18H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 330.23 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).