(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine

C17H16BrN3 — CID 104942051

IUPAC(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)c1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3/c18-14-6-8-15(9-7-14)21-12-20-11-17(21)16(19)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,19H2/t16-/m1/s1
InChIKeyNJLATHJYVNBSSP-MRXNPFEDSA-N
MW342.24 g/mol
LogP3.88
Rot. Bonds4

About (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine

(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104942051) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
PubChem CID104942051
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
SMILESN[C@H](Cc1ccccc1)c1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C17H16BrN3/c18-14-6-8-15(9-7-14)21-12-20-11-17(21)16(19)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,19H2/t16-/m1/s1
InChIKeyNJLATHJYVNBSSP-MRXNPFEDSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
1-(4-Bromobenzyl)-5-phenyl-1H-imidazole
CID 45103810
4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 155352269
5-((4-bromophenyl)methyl)-2-phenyl-5H-imidazo(4,5-c)pyridine
CID 10406442
5-[(4-bromophenyl)methyl]-2-[(E)-styryl]imidazo[4,5-c]pyridine
CID 16077356
5-[(2-Bromophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 44418306
5-[(3-Bromophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 44418310
6-(5-bromo-3-pyridinyl)-N-(3-imidazol-1-ylpropyl)-2-phenylpyrimidin-4-amine
CID 4107603
3-phenyl-N-[[3-(p-tolylmethyl)imidazol-4-yl]methyl]aniline
CID 504428
Benzyl-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096462
1-(4-Bromophenyl)-4-phenylimidazole
CID 3248065
3-Benzyl-7-bromo-1-(3H-imidazol-4-ylmethyl)-4-methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CID 9804961

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine (CID 104942051) is (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine is N[C@H](Cc1ccccc1)c1cncn1-c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?
The InChIKey is NJLATHJYVNBSSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-14-6-8-15(9-7-14)21-12-20-11-17(21)16(19)10-13-4-2-1-3-5-13/h1-9,11-12,16H,10,19H2/t16-/m1/s1.
What are the key properties of (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine?
(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 342.24 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104942051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).