N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine

C11H11ClFN3 — CID 106560763

IUPACN-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C11H11ClFN3/c1-7-6-16(2)11(14-7)15-9-5-3-4-8(12)10(9)13/h3-6H,1-2H3,(H,14,15)
InChIKeyBCYYTCQEMKCVSO-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.26
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine

N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine (PubChem CID 106560763) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
PubChem CID106560763
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC NameN-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
SMILESCc1cn(C)c(Nc2cccc(Cl)c2F)n1
InChIInChI=1S/C11H11ClFN3/c1-7-6-16(2)11(14-7)15-9-5-3-4-8(12)10(9)13/h3-6H,1-2H3,(H,14,15)
InChIKeyBCYYTCQEMKCVSO-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106556313
N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336
6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
4-N-(3-chloro-2-fluorophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80755526
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
4-bromo-N-(3-chloro-2-fluorophenyl)-1,3-thiazol-2-amine
CID 79400357
N-(2,5-dibromophenyl)-1,4-dimethylimidazol-2-amine
CID 106566384
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine (CID 106560763) is N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine is Cc1cn(C)c(Nc2cccc(Cl)c2F)n1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine?
The InChIKey is BCYYTCQEMKCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7-6-16(2)11(14-7)15-9-5-3-4-8(12)10(9)13/h3-6H,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine?
N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine has a molecular weight of 239.68 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106560763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).