2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline

C13H15Br2N3 — CID 107597049

IUPAC2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1c(Br)cccc1Br
InChIInChI=1S/C13H15Br2N3/c1-2-7-18-8-6-16-12(18)9-17-13-10(14)4-3-5-11(13)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyDQLUJTRCFCSVTR-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.43
Rot. Bonds5

About 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline

2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline (PubChem CID 107597049) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
PubChem CID107597049
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
SMILESCCCn1ccnc1CNc1c(Br)cccc1Br
InChIInChI=1S/C13H15Br2N3/c1-2-7-18-8-6-16-12(18)9-17-13-10(14)4-3-5-11(13)15/h3-6,8,17H,2,7,9H2,1H3
InChIKeyDQLUJTRCFCSVTR-UHFFFAOYSA-N
XLogP4.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 55153464
5-bromo-2,4-difluoro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 102852701
2-fluoro-6-nitro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 81310091
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 107258242
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
1-(3-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012477
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 62955967
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
N-(2-bromo-6-fluorophenyl)-1-propylimidazol-2-amine
CID 107605154
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline (CID 107597049) is 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline is CCCn1ccnc1CNc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline?
The InChIKey is DQLUJTRCFCSVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-2-7-18-8-6-16-12(18)9-17-13-10(14)4-3-5-11(13)15/h3-6,8,17H,2,7,9H2,1H3.
What are the key properties of 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline?
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline has a molecular weight of 373.09 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 107597049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).