4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine

C9H9BrClFN4 — CID 139945191

IUPAC4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine
SMILESNc1c(Br)cc(Cl)c(NC2=NCCN2)c1F
InChIInChI=1S/C9H9BrClFN4/c10-4-3-5(11)8(6(12)7(4)13)16-9-14-1-2-15-9/h3H,1-2,13H2,(H2,14,15,16)
InChIKeyFNPQJGAPHWJSGJ-UHFFFAOYSA-N
MW307.55 g/mol
LogP2.19
Rot. Bonds1

About 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine

4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine (PubChem CID 139945191) has the molecular formula C9H9BrClFN4 and a molecular weight of 307.55 g/mol. Its IUPAC name is 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine
PubChem CID139945191
Molecular FormulaC9H9BrClFN4
Molecular Weight307.55 g/mol
Exact Mass305.97
IUPAC Name4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine
SMILESNc1c(Br)cc(Cl)c(NC2=NCCN2)c1F
InChIInChI=1S/C9H9BrClFN4/c10-4-3-5(11)8(6(12)7(4)13)16-9-14-1-2-15-9/h3H,1-2,13H2,(H2,14,15,16)
InChIKeyFNPQJGAPHWJSGJ-UHFFFAOYSA-N
XLogP2.19
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.55
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107611250
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 174258723
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
CID 155256199
4-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzene-1,3-diamine
CID 139945187
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;bis(2,2,3,3,4,4,4-heptafluorobutanoic acid)
CID 155256122
N-(2,6-di(18F)fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 46851240
N-(2-bromo-3-chloro-5-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922089
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride
CID 173410610
N-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10354248

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine?
The IUPAC name of 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine (CID 139945191) is 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine.
What is the SMILES notation for 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine?
The canonical SMILES for 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine is Nc1c(Br)cc(Cl)c(NC2=NCCN2)c1F.
What is the InChIKey of 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine?
The InChIKey is FNPQJGAPHWJSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFN4/c10-4-3-5(11)8(6(12)7(4)13)16-9-14-1-2-15-9/h3H,1-2,13H2,(H2,14,15,16).
What are the key properties of 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine?
4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine has a molecular weight of 307.55 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine is sourced from PubChem (CID 139945191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).