5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine

C14H17ClFN3 — CID 114454434

IUPAC5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine
SMILESCCCn1c(CC)nc(-c2cc(F)cc(Cl)c2)c1N
InChIInChI=1S/C14H17ClFN3/c1-3-5-19-12(4-2)18-13(14(19)17)9-6-10(15)8-11(16)7-9/h6-8H,3-5,17H2,1-2H3
InChIKeyLLBGKOQAMDUZMK-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.90
Rot. Bonds4

About 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine

5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine (PubChem CID 114454434) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine
PubChem CID114454434
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine
SMILESCCCn1c(CC)nc(-c2cc(F)cc(Cl)c2)c1N
InChIInChI=1S/C14H17ClFN3/c1-3-5-19-12(4-2)18-13(14(19)17)9-6-10(15)8-11(16)7-9/h6-8H,3-5,17H2,1-2H3
InChIKeyLLBGKOQAMDUZMK-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580
5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 62219042
3-butyl-2-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 55048354
2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050525
3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
CID 62219554
2-ethyl-5-naphthalen-2-yl-3-propylimidazol-4-amine
CID 62224711
5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
CID 114454479
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62226776
5-(3,5-dichlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 62218840
3-butyl-2-ethyl-5-(2,4,6-trimethylphenyl)imidazol-4-amine
CID 63468172
5-(2-chloro-6-methoxyphenyl)-2-ethyl-3-propylimidazol-4-amine
CID 104817992
6-(3-chloro-5-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 113324875

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine (CID 114454434) is 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine is CCCn1c(CC)nc(-c2cc(F)cc(Cl)c2)c1N.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine?
The InChIKey is LLBGKOQAMDUZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-5-19-12(4-2)18-13(14(19)17)9-6-10(15)8-11(16)7-9/h6-8H,3-5,17H2,1-2H3.
What are the key properties of 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine?
5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine has a molecular weight of 281.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine is sourced from PubChem (CID 114454434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).