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

C10H10BrFN4 — CID 66112517

IUPAC4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1NCc1ncc[nH]1
InChIInChI=1S/C10H10BrFN4/c11-6-3-8(13)9(4-7(6)12)16-5-10-14-1-2-15-10/h1-4,16H,5,13H2,(H,14,15)
InChIKeySTLQOFCOWHMSET-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.51
Rot. Bonds3

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

4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine (PubChem CID 66112517) has the molecular formula C10H10BrFN4 and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
PubChem CID66112517
Molecular FormulaC10H10BrFN4
Molecular Weight285.12 g/mol
Exact Mass284.01
IUPAC Name4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1NCc1ncc[nH]1
InChIInChI=1S/C10H10BrFN4/c11-6-3-8(13)9(4-7(6)12)16-5-10-14-1-2-15-10/h1-4,16H,5,13H2,(H,14,15)
InChIKeySTLQOFCOWHMSET-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

4-bromo-5-fluoro-N-(1H-imidazol-2-ylmethyl)-2-nitroaniline
CID 66111461
3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 171673482
3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 64547692
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
CID 64548272
4-bromo-5-fluoro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 81427965
4-amino-3-(1H-imidazol-2-ylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82901093
4-bromo-5-fluoro-2-N-(1H-imidazol-5-ylmethyl)benzene-1,2-diamine
CID 116736060
2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720
4-bromo-5-fluoro-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,2-diamine
CID 66109553
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
2-(2-amino-4-bromo-5-fluoroanilino)acetamide
CID 66111662

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine (CID 66112517) is 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine is Nc1cc(Br)c(F)cc1NCc1ncc[nH]1.
What is the InChIKey of 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is STLQOFCOWHMSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4/c11-6-3-8(13)9(4-7(6)12)16-5-10-14-1-2-15-10/h1-4,16H,5,13H2,(H,14,15).
What are the key properties of 4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine?
4-bromo-5-fluoro-1-N-(1H-imidazol-2-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-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 66112517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).