4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine

C25H25FN6 — CID 11133737

IUPAC4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)
InChIKeyXGMKXFYSDRBOQV-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.57
Rot. Bonds5

About 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine

4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 11133737) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID11133737
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)
InChIKeyXGMKXFYSDRBOQV-UHFFFAOYSA-N
XLogP4.57
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine (CID 11133737) is 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine is Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is XGMKXFYSDRBOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30).
What are the key properties of 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine?
4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 428.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 11133737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).