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

C16H21ClFN3 — CID 114859722

IUPAC5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cc(Cl)ccc2F)c(N)n1CC(C)C
InChIInChI=1S/C16H21ClFN3/c1-4-5-14-20-15(16(19)21(14)9-10(2)3)12-8-11(17)6-7-13(12)18/h6-8,10H,4-5,9,19H2,1-3H3
InChIKeyIGJPFEDZXKAPLP-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.53
Rot. Bonds5

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

5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine (PubChem CID 114859722) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
PubChem CID114859722
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2cc(Cl)ccc2F)c(N)n1CC(C)C
InChIInChI=1S/C16H21ClFN3/c1-4-5-14-20-15(16(19)21(14)9-10(2)3)12-8-11(17)6-7-13(12)18/h6-8,10H,4-5,9,19H2,1-3H3
InChIKeyIGJPFEDZXKAPLP-UHFFFAOYSA-N
XLogP4.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-difluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 62218894
5-(2-bromo-5-chlorophenyl)-3-ethyl-2-propylimidazol-4-amine
CID 66159140
5-(5-chloro-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
CID 114859651
4-(2,5-difluorophenyl)-2-propylimidazole-1,5-diamine
CID 62507095
5-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 105410310
5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 114859731
5-(2,6-difluorophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218853
5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
CID 62219752
5-(5-bromo-2-fluorophenyl)-3-tert-butyl-2-propylimidazol-4-amine
CID 63469451
5-(3-chloro-4-fluorophenyl)-3-propan-2-yl-2-propylimidazol-4-amine
CID 81166041
3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
CID 114488589
5-tert-butyl-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 62221052

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine (CID 114859722) is 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine is CCCc1nc(-c2cc(Cl)ccc2F)c(N)n1CC(C)C.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
The InChIKey is IGJPFEDZXKAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-4-5-14-20-15(16(19)21(14)9-10(2)3)12-8-11(17)6-7-13(12)18/h6-8,10H,4-5,9,19H2,1-3H3.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine?
5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine has a molecular weight of 309.82 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 114859722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).