1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

C16H21BrClN3 — CID 114530643

IUPAC1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H21BrClN3/c1-3-8-19-15(6-7-16-20-9-10-21(16)2)12-4-5-14(18)13(17)11-12/h4-5,9-11,15,19H,3,6-8H2,1-2H3
InChIKeyAVVCJLXAWPDGDS-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.51
Rot. Bonds7

About 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine

1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (PubChem CID 114530643) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
PubChem CID114530643
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H21BrClN3/c1-3-8-19-15(6-7-16-20-9-10-21(16)2)12-4-5-14(18)13(17)11-12/h4-5,9-11,15,19H,3,6-8H2,1-2H3
InChIKeyAVVCJLXAWPDGDS-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
N-[1-(4-bromo-3-chlorophenyl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 105011675
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
[1-(4-bromo-3-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340362
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530181
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030404
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine (CID 114530643) is 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
The InChIKey is AVVCJLXAWPDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-3-8-19-15(6-7-16-20-9-10-21(16)2)12-4-5-14(18)13(17)11-12/h4-5,9-11,15,19H,3,6-8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine?
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine has a molecular weight of 370.72 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114530643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).