1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

C14H17ClFN3 — CID 106567700

IUPAC1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(-c2ccc(Cl)c(F)c2)c(NCC(C)C)n1
InChIInChI=1S/C14H17ClFN3/c1-9(2)7-17-14-18-10(3)8-19(14)11-4-5-12(15)13(16)6-11/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyDQBZEOSZFHKKTA-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine

1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106567700) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106567700
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(-c2ccc(Cl)c(F)c2)c(NCC(C)C)n1
InChIInChI=1S/C14H17ClFN3/c1-9(2)7-17-14-18-10(3)8-19(14)11-4-5-12(15)13(16)6-11/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyDQBZEOSZFHKKTA-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668
1-(4-bromo-3-methylphenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557033
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
1-(2-bromo-5-chlorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106577963
1-(5-bromo-2,4-difluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106583054
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
1-(2,5-dibromophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566394
1-[1-(4-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106565811
1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-(4-ethoxy-3-fluorophenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106579932
1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106555476
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine (CID 106567700) is 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(-c2ccc(Cl)c(F)c2)c(NCC(C)C)n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is DQBZEOSZFHKKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9(2)7-17-14-18-10(3)8-19(14)11-4-5-12(15)13(16)6-11/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine?
1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106567700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).