N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine

C10H9BrFN3 — CID 106574267

IUPACN-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
SMILESCn1ccnc1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C10H9BrFN3/c1-15-5-4-13-10(15)14-7-2-3-8(11)9(12)6-7/h2-6H,1H3,(H,13,14)
InChIKeyHYMGFMQQTDEZCU-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.07
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine

N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine (PubChem CID 106574267) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
PubChem CID106574267
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC NameN-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
SMILESCn1ccnc1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C10H9BrFN3/c1-15-5-4-13-10(15)14-7-2-3-8(11)9(12)6-7/h2-6H,1H3,(H,13,14)
InChIKeyHYMGFMQQTDEZCU-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
CID 106573027
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
CID 106579210
N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(2-bromo-4,6-difluorophenyl)-1-methylimidazol-2-amine
CID 106561368
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-(3-fluoro-5-methylphenyl)-1-methylimidazol-2-amine
CID 106576252
N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-amine
CID 106557683
N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475
3-bromo-N-(4-bromo-3-fluorophenyl)pyridin-2-amine
CID 65437020
N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 107627985
2-methyl-4-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 62131138
2-methyl-5-[(1-methylimidazol-2-yl)amino]benzoic acid
CID 55244261

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine (CID 106574267) is N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine is Cn1ccnc1Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine?
The InChIKey is HYMGFMQQTDEZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-15-5-4-13-10(15)14-7-2-3-8(11)9(12)6-7/h2-6H,1H3,(H,13,14).
What are the key properties of N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine?
N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine has a molecular weight of 270.11 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 106574267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).