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

C16H21ClFN3 — CID 114488589

IUPAC3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
SMILESCCCCn1c(CCC)nc(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C16H21ClFN3/c1-3-5-10-21-13(7-4-2)20-15(16(21)19)11-8-6-9-12(17)14(11)18/h6,8-9H,3-5,7,10,19H2,1-2H3
InChIKeyJKOHYKMYQDZCLT-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.68
Rot. Bonds6

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

3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine (PubChem CID 114488589) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
PubChem CID114488589
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
SMILESCCCCn1c(CCC)nc(-c2cccc(Cl)c2F)c1N
InChIInChI=1S/C16H21ClFN3/c1-3-5-10-21-13(7-4-2)20-15(16(21)19)11-8-6-9-12(17)14(11)18/h6,8-9H,3-5,7,10,19H2,1-2H3
InChIKeyJKOHYKMYQDZCLT-UHFFFAOYSA-N
XLogP4.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 114488583
3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
CID 63468358
3-butyl-2-ethyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62219729
5-(2,3-dichlorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 62219220
3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
CID 62226365
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
3-butyl-5-(4-ethylphenyl)-2-propylimidazol-4-amine
CID 63468177
3-butyl-5-(2,6-difluorophenyl)-2-ethylimidazol-4-amine
CID 62218493
3-butyl-2-propyl-5-pyridin-3-ylimidazol-4-amine
CID 62219767
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
CID 62220679
2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050525

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine (CID 114488589) is 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine is CCCCn1c(CCC)nc(-c2cccc(Cl)c2F)c1N.
What is the InChIKey of 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine?
The InChIKey is JKOHYKMYQDZCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-3-5-10-21-13(7-4-2)20-15(16(21)19)11-8-6-9-12(17)14(11)18/h6,8-9H,3-5,7,10,19H2,1-2H3.
What are the key properties of 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine?
3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine has a molecular weight of 309.82 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 114488589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).