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

C13H16BrN3 — CID 65233278

IUPAC2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(C(C)CN)nc1-c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-8(7-15)13-16-9(2)12(17-13)10-3-5-11(14)6-4-10/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeyGMSFRSBUOOGNRY-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.21
Rot. Bonds3

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

2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (PubChem CID 65233278) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
PubChem CID65233278
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(C(C)CN)nc1-c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-8(7-15)13-16-9(2)12(17-13)10-3-5-11(14)6-4-10/h3-6,8H,7,15H2,1-2H3,(H,16,17)
InChIKeyGMSFRSBUOOGNRY-UHFFFAOYSA-N
XLogP3.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65232861
1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651263
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 112585762
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
2-[4-(4-ethylphenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 65231043
N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63926373
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (CID 65233278) is 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is Cc1[nH]c(C(C)CN)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is GMSFRSBUOOGNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8(7-15)13-16-9(2)12(17-13)10-3-5-11(14)6-4-10/h3-6,8H,7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 65233278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).