N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine

C13H15BrClN3 — CID 115652117

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClN3/c1-10(8-18-5-4-16-9-18)17-7-11-2-3-12(14)6-13(11)15/h2-6,9-10,17H,7-8H2,1H3
InChIKeyQGIHBMHPDYEPLO-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.48
Rot. Bonds5

About N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine

N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 115652117) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID115652117
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H15BrClN3/c1-10(8-18-5-4-16-9-18)17-7-11-2-3-12(14)6-13(11)15/h2-6,9-10,17H,7-8H2,1H3
InChIKeyQGIHBMHPDYEPLO-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 43435635
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
3-fluoro-4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 61482521
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
(2S)-N-[(4-bromo-2-chlorophenyl)methyl]-3-methylbutan-2-amine
CID 97357838
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 78962048
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 115652117) is N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is QGIHBMHPDYEPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-10(8-18-5-4-16-9-18)17-7-11-2-3-12(14)6-13(11)15/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine?
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 328.64 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 115652117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).