5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine

C19H19ClFN3O — CID 66740747

IUPAC5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine
SMILESCOc1cc(C(C)(C)c2cnc(N)n2-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C19H19ClFN3O/c1-19(2,12-4-9-15(20)16(10-12)25-3)17-11-23-18(22)24(17)14-7-5-13(21)6-8-14/h4-11H,1-3H3,(H2,22,23)
InChIKeySNNKHWGFUFEZAC-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.58
Rot. Bonds4

About 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine

5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine (PubChem CID 66740747) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine
PubChem CID66740747
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC Name5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine
SMILESCOc1cc(C(C)(C)c2cnc(N)n2-c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C19H19ClFN3O/c1-19(2,12-4-9-15(20)16(10-12)25-3)17-11-23-18(22)24(17)14-7-5-13(21)6-8-14/h4-11H,1-3H3,(H2,22,23)
InChIKeySNNKHWGFUFEZAC-UHFFFAOYSA-N
XLogP4.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine?
The IUPAC name of 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine (CID 66740747) is 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine.
What is the SMILES notation for 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine?
The canonical SMILES for 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine is COc1cc(C(C)(C)c2cnc(N)n2-c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine?
The InChIKey is SNNKHWGFUFEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-19(2,12-4-9-15(20)16(10-12)25-3)17-11-23-18(22)24(17)14-7-5-13(21)6-8-14/h4-11H,1-3H3,(H2,22,23).
What are the key properties of 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine?
5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine has a molecular weight of 359.83 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-amine is sourced from PubChem (CID 66740747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).