4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine

C10H10BrFN4 — CID 116736060

IUPAC4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1NCc1cnc[nH]1
InChIInChI=1S/C10H10BrFN4/c11-7-1-10(9(13)2-8(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4,13H2,(H,14,16)
InChIKeyOZKHRFXOOAHOMN-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.51
Rot. Bonds3

About 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine

4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine (PubChem CID 116736060) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
PubChem CID116736060
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(F)c(Br)cc1NCc1cnc[nH]1
InChIInChI=1S/C10H10BrFN4/c11-7-1-10(9(13)2-8(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4,13H2,(H,14,16)
InChIKeyOZKHRFXOOAHOMN-UHFFFAOYSA-N
XLogP2.51
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211
4-bromo-5-fluoro-2-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 116736330
4-bromo-5-fluoro-2-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 116735599
4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 66112517
4-bromo-5-fluoro-2-N-(furan-2-ylmethyl)benzene-1,2-diamine
CID 116735323
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762095
6-bromo-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
CID 106195358
3-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)benzamide
CID 103725236
2-fluoro-N-(1H-imidazol-5-ylmethyl)-5-nitroaniline
CID 62761580
5-N-(1H-imidazol-5-ylmethyl)-3-methylisoquinoline-5,8-diamine
CID 102713482
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
CID 62761956

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine (CID 116736060) is 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine is Nc1cc(F)c(Br)cc1NCc1cnc[nH]1.
What is the InChIKey of 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine?
The InChIKey is OZKHRFXOOAHOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c11-7-1-10(9(13)2-8(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4,13H2,(H,14,16).
What are the key properties of 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine?
4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine has a molecular weight of 285.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 116736060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).