4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine

C20H23N5O — CID 72895511

IUPAC4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(c3nccn3Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C20H23N5O/c1-26-19-13-18(22-15-23-19)24-10-7-17(8-11-24)20-21-9-12-25(20)14-16-5-3-2-4-6-16/h2-6,9,12-13,15,17H,7-8,10-11,14H2,1H3
InChIKeyAAMIPOCYFCSNBG-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.11
Rot. Bonds5

About 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine

4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine (PubChem CID 72895511) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine
PubChem CID72895511
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(c3nccn3Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C20H23N5O/c1-26-19-13-18(22-15-23-19)24-10-7-17(8-11-24)20-21-9-12-25(20)14-16-5-3-2-4-6-16/h2-6,9,12-13,15,17H,7-8,10-11,14H2,1H3
InChIKeyAAMIPOCYFCSNBG-UHFFFAOYSA-N
XLogP3.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine (CID 72895511) is 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCC(c3nccn3Cc3ccccc3)CC2)ncn1.
What is the InChIKey of 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
The InChIKey is AAMIPOCYFCSNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-26-19-13-18(22-15-23-19)24-10-7-17(8-11-24)20-21-9-12-25(20)14-16-5-3-2-4-6-16/h2-6,9,12-13,15,17H,7-8,10-11,14H2,1H3.
What are the key properties of 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine has a molecular weight of 349.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 72895511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).