N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C13H16BrN3 — CID 63109316

IUPACN-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C13H16BrN3/c1-9(2)15-7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyTYSFXPCIPKAONM-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.34
Rot. Bonds4

About N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109316) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109316
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C13H16BrN3/c1-9(2)15-7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyTYSFXPCIPKAONM-UHFFFAOYSA-N
XLogP3.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
N-[[2-(3-bromo-4-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 113337362
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 106849877
[2-(4-bromophenyl)-1H-imidazol-5-yl]methanol
CID 63108219
N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177864
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244
N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109298
N-[[2-(3-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109227
1-[2-(4-bromophenyl)-1H-imidazol-5-yl]ethanamine
CID 82379767
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
N-[[2-(2-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109203
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109316) is N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is TYSFXPCIPKAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9(2)15-7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).