4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

C11H10BrCl2N3 — CID 62748520

IUPAC4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCc1[nH]cnc1CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H10BrCl2N3/c1-6-10(17-5-16-6)4-15-11-8(13)2-7(12)3-9(11)14/h2-3,5,15H,4H2,1H3,(H,16,17)
InChIKeyXWGXSORFFMMPGY-UHFFFAOYSA-N
MW335.03 g/mol
LogP4.40
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (PubChem CID 62748520) has the molecular formula C11H10BrCl2N3 and a molecular weight of 335.03 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
PubChem CID62748520
Molecular FormulaC11H10BrCl2N3
Molecular Weight335.03 g/mol
Exact Mass332.94
IUPAC Name4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCc1[nH]cnc1CNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H10BrCl2N3/c1-6-10(17-5-16-6)4-15-11-8(13)2-7(12)3-9(11)14/h2-3,5,15H,4H2,1H3,(H,16,17)
InChIKeyXWGXSORFFMMPGY-UHFFFAOYSA-N
XLogP4.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.03
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178304
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 24948267
3,5-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948272
4-bromo-3-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24948466
4-bromo-3-chloro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24945907
4-bromo-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24948271
3,5-dichloro-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178300
4-bromo-2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 43325979
4-bromo-2-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62747259
2-chloro-4-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 62748523
4-bromo-3-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 65435912
4-bromo-2,6-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 65467185

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (CID 62748520) is 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is Cc1[nH]cnc1CNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The InChIKey is XWGXSORFFMMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3/c1-6-10(17-5-16-6)4-15-11-8(13)2-7(12)3-9(11)14/h2-3,5,15H,4H2,1H3,(H,16,17).
What are the key properties of 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline has a molecular weight of 335.03 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is sourced from PubChem (CID 62748520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).