N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

C14H17ClFN3 — CID 106554114

IUPACN-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H17ClFN3/c1-9(2)7-19-8-10(3)17-14(19)18-13-5-4-11(16)6-12(13)15/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyAWAOMEQMANIMGZ-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.38
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine

N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106554114) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106554114
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)C)c(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H17ClFN3/c1-9(2)7-19-8-10(3)17-14(19)18-13-5-4-11(16)6-12(13)15/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyAWAOMEQMANIMGZ-UHFFFAOYSA-N
XLogP4.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106578785
N-(2,5-dichloro-4-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106580603
N-(4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106558695
4-methyl-1-(2-methylpropyl)-N-(3,4,5-trifluorophenyl)imidazol-2-amine
CID 106570791
N-(5-bromo-2-methylphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106562857
N-(4-bromo-2,6-difluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106574063
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106569054
4-methyl-1-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106557107
N-(3-iodophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554218
N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106576421
5-methyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]pyridin-3-amine
CID 107587276
N-(2,6-dichloro-4-fluorophenyl)-4-methyl-1-propylimidazol-2-amine
CID 106578797

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine (CID 106554114) is N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)C)c(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is AWAOMEQMANIMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9(2)7-19-8-10(3)17-14(19)18-13-5-4-11(16)6-12(13)15/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine?
N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106554114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).