5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine

C17H18ClN5O — CID 46980382

IUPAC5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cncn2CCOc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H18ClN5O/c1-22(2)17-20-9-13(10-21-17)16-11-19-12-23(16)7-8-24-15-5-3-14(18)4-6-15/h3-6,9-12H,7-8H2,1-2H3
InChIKeyTWFFCCWENAYHDM-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.14
Rot. Bonds6

About 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine

5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 46980382) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID46980382
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(-c2cncn2CCOc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H18ClN5O/c1-22(2)17-20-9-13(10-21-17)16-11-19-12-23(16)7-8-24-15-5-3-14(18)4-6-15/h3-6,9-12H,7-8H2,1-2H3
InChIKeyTWFFCCWENAYHDM-UHFFFAOYSA-N
XLogP3.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine (CID 46980382) is 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(-c2cncn2CCOc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is TWFFCCWENAYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-22(2)17-20-9-13(10-21-17)16-11-19-12-23(16)7-8-24-15-5-3-14(18)4-6-15/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine?
5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 343.82 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 46980382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).