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

C13H15ClFN3 — CID 114488583

IUPAC5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cccc(Cl)c2F)c(N)n1C
InChIInChI=1S/C13H15ClFN3/c1-3-5-10-17-12(13(16)18(10)2)8-6-4-7-9(14)11(8)15/h4,6-7H,3,5,16H2,1-2H3
InChIKeyBSQNLIBBRDXCGZ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.41
Rot. Bonds3

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

5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine (PubChem CID 114488583) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
PubChem CID114488583
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cccc(Cl)c2F)c(N)n1C
InChIInChI=1S/C13H15ClFN3/c1-3-5-10-17-12(13(16)18(10)2)8-6-4-7-9(14)11(8)15/h4,6-7H,3,5,16H2,1-2H3
InChIKeyBSQNLIBBRDXCGZ-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
CID 114488589
5-(2,3-dichlorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62219220
5-(2,3-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220287
5-(4-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220284
5-(2,3-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220472
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
CID 62220679
5-(2,4-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62219048
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
CID 62226219
3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
CID 63468358
6-chloro-2-(3-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114488847

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine (CID 114488583) is 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine is CCCc1nc(-c2cccc(Cl)c2F)c(N)n1C.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
The InChIKey is BSQNLIBBRDXCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-3-5-10-17-12(13(16)18(10)2)8-6-4-7-9(14)11(8)15/h4,6-7H,3,5,16H2,1-2H3.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine?
5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine has a molecular weight of 267.74 g/mol, XLogP of 3.41, 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-methyl-2-propylimidazol-4-amine is sourced from PubChem (CID 114488583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).