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

C14H16Cl2FN3 — CID 106578785

IUPACN-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C14H16Cl2FN3/c1-8(2)6-20-7-9(3)18-14(20)19-13-11(15)4-10(17)5-12(13)16/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyUJBQGGAMFXXLDE-UHFFFAOYSA-N
MW316.21 g/mol
LogP5.04
Rot. Bonds4

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

N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106578785) has the molecular formula C14H16Cl2FN3 and a molecular weight of 316.21 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106578785
Molecular FormulaC14H16Cl2FN3
Molecular Weight316.21 g/mol
Exact Mass315.07
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2c(Cl)cc(F)cc2Cl)n1
InChIInChI=1S/C14H16Cl2FN3/c1-8(2)6-20-7-9(3)18-14(20)19-13-11(15)4-10(17)5-12(13)16/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyUJBQGGAMFXXLDE-UHFFFAOYSA-N
XLogP5.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.21
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554114
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
CID 106578797
N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106574063
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
N-(4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106558695
N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106580603
4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570791
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
N-(3-bromo-5-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 107581439
5-methyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]pyridin-3-amine
CID 107587276
4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557107
N-(5-bromo-2-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106562857

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106578785) is N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2c(Cl)cc(F)cc2Cl)n1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is UJBQGGAMFXXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FN3/c1-8(2)6-20-7-9(3)18-14(20)19-13-11(15)4-10(17)5-12(13)16/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 316.21 g/mol, XLogP of 5.04, 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-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106578785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).