2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine

C18H21N5O — CID 56745738

IUPAC2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2ncc(-c3nccn3CCN(C)C)cn2)cc1
InChIInChI=1S/C18H21N5O/c1-22(2)10-11-23-9-8-19-18(23)15-12-20-17(21-13-15)14-4-6-16(24-3)7-5-14/h4-9,12-13H,10-11H2,1-3H3
InChIKeyXHRVVAKKMKSTSO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.58
Rot. Bonds6

About 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine

2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 56745738) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID56745738
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(-c2ncc(-c3nccn3CCN(C)C)cn2)cc1
InChIInChI=1S/C18H21N5O/c1-22(2)10-11-23-9-8-19-18(23)15-12-20-17(21-13-15)14-4-6-16(24-3)7-5-14/h4-9,12-13H,10-11H2,1-3H3
InChIKeyXHRVVAKKMKSTSO-UHFFFAOYSA-N
XLogP2.58
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine (CID 56745738) is 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine is COc1ccc(-c2ncc(-c3nccn3CCN(C)C)cn2)cc1.
What is the InChIKey of 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is XHRVVAKKMKSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22(2)10-11-23-9-8-19-18(23)15-12-20-17(21-13-15)14-4-6-16(24-3)7-5-14/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 323.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 56745738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).