3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

C13H16BrN3 — CID 114079195

IUPAC3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(CCCN)nc1-c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-9-13(10-4-2-5-11(14)8-10)17-12(16-9)6-3-7-15/h2,4-5,8H,3,6-7,15H2,1H3,(H,16,17)
InChIKeyPEOQEAKEVGZNOC-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.04
Rot. Bonds4

About 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine

3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (PubChem CID 114079195) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
PubChem CID114079195
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
SMILESCc1[nH]c(CCCN)nc1-c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-9-13(10-4-2-5-11(14)8-10)17-12(16-9)6-3-7-15/h2,4-5,8H,3,6-7,15H2,1H3,(H,16,17)
InChIKeyPEOQEAKEVGZNOC-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
5-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 112679311
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
3-[4-(3-bromophenyl)-1-methylpyrazol-3-yl]propan-1-amine
CID 105424003
2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
CID 82481071
[4-(3-bromophenyl)thiadiazol-5-yl]methanamine
CID 65209053
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine (CID 114079195) is 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is Cc1[nH]c(CCCN)nc1-c1cccc(Br)c1.
What is the InChIKey of 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is PEOQEAKEVGZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-13(10-4-2-5-11(14)8-10)17-12(16-9)6-3-7-15/h2,4-5,8H,3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine?
3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 114079195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).