2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline

C13H15Br2N3 — CID 66130335

IUPAC2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H15Br2N3/c1-2-5-18-9-16-7-11(18)8-17-13-4-3-10(14)6-12(13)15/h3-4,6-7,9,17H,2,5,8H2,1H3
InChIKeyCUMWCHWWTGVACN-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.43
Rot. Bonds5

About 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline

2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66130335) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66130335
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC Name2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H15Br2N3/c1-2-5-18-9-16-7-11(18)8-17-13-4-3-10(14)6-12(13)15/h3-4,6-7,9,17H,2,5,8H2,1H3
InChIKeyCUMWCHWWTGVACN-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-nitro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129353
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
4-fluoro-2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129575
3-bromo-4-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132384
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-methyl-4-nitro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132333

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66130335) is 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is CUMWCHWWTGVACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-2-5-18-9-16-7-11(18)8-17-13-4-3-10(14)6-12(13)15/h3-4,6-7,9,17H,2,5,8H2,1H3.
What are the key properties of 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline?
2,4-dibromo-N-[(3-propylimidazol-4-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 2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66130335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).