5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

C15H19ClFN3 — CID 114454455

IUPAC5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C15H19ClFN3/c1-8(2)15-19-13(14(18)20(15)9(3)4)10-5-11(16)7-12(17)6-10/h5-9H,18H2,1-4H3
InChIKeyRDBCZJALUSXVPL-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.63
Rot. Bonds3

About 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine

5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (PubChem CID 114454455) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
PubChem CID114454455
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCC(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C(C)C
InChIInChI=1S/C15H19ClFN3/c1-8(2)15-19-13(14(18)20(15)9(3)4)10-5-11(16)7-12(17)6-10/h5-9H,18H2,1-4H3
InChIKeyRDBCZJALUSXVPL-UHFFFAOYSA-N
XLogP4.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-difluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 106531924
5-(3,5-difluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 106531922
5-(3,5-dichlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 62218840
5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 62219616
5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 66161306
5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 62219797
3-butyl-5-(3,5-dichlorophenyl)-2-propan-2-ylimidazol-4-amine
CID 63468374
5-(3-chloro-5-fluorophenyl)-2-ethyl-3-propylimidazol-4-amine
CID 114454434
5-(2,3-dichlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 62219798
4-(3-chloro-5-fluorophenyl)imidazole-1,5-diamine
CID 114454482
2-tert-butyl-5-(3-chloro-5-fluorophenyl)-3-cyclopropylimidazol-4-amine
CID 114454475
5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
CID 114454479

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine (CID 114454455) is 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine is CC(C)c1nc(-c2cc(F)cc(Cl)c2)c(N)n1C(C)C.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The InChIKey is RDBCZJALUSXVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-8(2)15-19-13(14(18)20(15)9(3)4)10-5-11(16)7-12(17)6-10/h5-9H,18H2,1-4H3.
What are the key properties of 5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
5-(3-chloro-5-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine has a molecular weight of 295.79 g/mol, XLogP of 4.63, 3 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)-2,3-di(propan-2-yl)imidazol-4-amine is sourced from PubChem (CID 114454455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).