N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine

C13H14Cl2FN3 — CID 106578797

IUPACN-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-3-4-19-7-8(2)17-13(19)18-12-10(14)5-9(16)6-11(12)15/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyCXOXGMXISRRMGR-UHFFFAOYSA-N
MW302.18 g/mol
LogP4.79
Rot. Bonds4

About N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine

N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine (PubChem CID 106578797) has the molecular formula C13H14Cl2FN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
PubChem CID106578797
Molecular FormulaC13H14Cl2FN3
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-3-4-19-7-8(2)17-13(19)18-12-10(14)5-9(16)6-11(12)15/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyCXOXGMXISRRMGR-UHFFFAOYSA-N
XLogP4.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106578785
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570963
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570733
N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554114
4-N,4-N-diethyl-1-N-(4-methyl-1-propylimidazol-2-yl)benzene-1,4-diamine
CID 106571675
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine (CID 106578797) is N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine is CCCn1cc(C)nc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine?
The InChIKey is CXOXGMXISRRMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FN3/c1-3-4-19-7-8(2)17-13(19)18-12-10(14)5-9(16)6-11(12)15/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine has a molecular weight of 302.18 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine is sourced from PubChem (CID 106578797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).