5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine

C14H17ClFN3 — CID 114488594

IUPAC5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C14H17ClFN3/c1-4-19-13(17)12(18-14(19)8(2)3)9-6-5-7-10(15)11(9)16/h5-8H,4,17H2,1-3H3
InChIKeyYSMQGKFBAGLRPU-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.07
Rot. Bonds3

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

5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (PubChem CID 114488594) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
PubChem CID114488594
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C14H17ClFN3/c1-4-19-13(17)12(18-14(19)8(2)3)9-6-5-7-10(15)11(9)16/h5-8H,4,17H2,1-3H3
InChIKeyYSMQGKFBAGLRPU-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 104818026
5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 62219790
3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
CID 114488589
5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 114488583
5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 115528289
5-(3,5-difluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 106531922
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 62219798
5-(2-chlorophenyl)-2,3-diethylimidazol-4-amine
CID 55049007
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62218375
5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 63469094
5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 104818038

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine (CID 114488594) is 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is CCn1c(C(C)C)nc(-c2cccc(Cl)c2F)c1N.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is YSMQGKFBAGLRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-4-19-13(17)12(18-14(19)8(2)3)9-6-5-7-10(15)11(9)16/h5-8H,4,17H2,1-3H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine?
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 281.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 114488594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).