(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine

C12H13BrClN3 — CID 104943468

IUPAC(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClN3/c1-2-10(15)12-6-16-7-17(12)11-4-3-8(14)5-9(11)13/h3-7,10H,2,15H2,1H3/t10-/m1/s1
InChIKeyIOMSMRSDJHHCOG-SNVBAGLBSA-N
MW314.61 g/mol
LogP3.70
Rot. Bonds3

About (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine (PubChem CID 104943468) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
PubChem CID104943468
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(Cl)cc1Br
InChIInChI=1S/C12H13BrClN3/c1-2-10(15)12-6-16-7-17(12)11-4-3-8(14)5-9(11)13/h3-7,10H,2,15H2,1H3/t10-/m1/s1
InChIKeyIOMSMRSDJHHCOG-SNVBAGLBSA-N
XLogP3.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444285
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine
CID 104943675
2-amino-2-[3-(4-chloro-2-methylphenyl)imidazol-4-yl]ethanol
CID 114703854
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
CID 104941719
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
CID 114706823
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
CID 104942155
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine (CID 104943468) is (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1ccc(Cl)cc1Br.
What is the InChIKey of (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is IOMSMRSDJHHCOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-2-10(15)12-6-16-7-17(12)11-4-3-8(14)5-9(11)13/h3-7,10H,2,15H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 314.61 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104943468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).