5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine

C25H25N5 — CID 67361175

IUPAC5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine
SMILESc1ccc(CN2CCC(n3cnc(-c4cnc(-c5ccccc5)nc4)c3)CC2)cc1
InChIInChI=1S/C25H25N5/c1-3-7-20(8-4-1)17-29-13-11-23(12-14-29)30-18-24(28-19-30)22-15-26-25(27-16-22)21-9-5-2-6-10-21/h1-10,15-16,18-19,23H,11-14,17H2
InChIKeyBWWNIKBANVATDM-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.84
Rot. Bonds5

About 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine

5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine (PubChem CID 67361175) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine
PubChem CID67361175
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine
SMILESc1ccc(CN2CCC(n3cnc(-c4cnc(-c5ccccc5)nc4)c3)CC2)cc1
InChIInChI=1S/C25H25N5/c1-3-7-20(8-4-1)17-29-13-11-23(12-14-29)30-18-24(28-19-30)22-15-26-25(27-16-22)21-9-5-2-6-10-21/h1-10,15-16,18-19,23H,11-14,17H2
InChIKeyBWWNIKBANVATDM-UHFFFAOYSA-N
XLogP4.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine
CID 141298121
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-phenylpyrimidine
CID 56909083
5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
CID 67360741
3-[4-[[4-[4-(aminomethyl)imidazol-1-yl]piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid
CID 142817345
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
1-benzyl-4-(5-phenylpyrazol-1-yl)piperidine
CID 21219154
N-(1-benzylpiperidin-4-yl)-4-[3-(hydroxycarbamoyl)phenyl]-N-methylimidazole-1-carboxamide
CID 87105205
3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 141298114
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
5-[1-(1-benzylpyrrolidin-3-yl)triazol-4-yl]-2-methoxypyridine
CID 72921380
5-[1-[(3R)-1-benzylpyrrolidin-3-yl]triazol-4-yl]-2-methoxypyridine
CID 97206207
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine?
The IUPAC name of 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine (CID 67361175) is 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine?
The canonical SMILES for 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine is c1ccc(CN2CCC(n3cnc(-c4cnc(-c5ccccc5)nc4)c3)CC2)cc1.
What is the InChIKey of 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine?
The InChIKey is BWWNIKBANVATDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-3-7-20(8-4-1)17-29-13-11-23(12-14-29)30-18-24(28-19-30)22-15-26-25(27-16-22)21-9-5-2-6-10-21/h1-10,15-16,18-19,23H,11-14,17H2.
What are the key properties of 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine?
5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine has a molecular weight of 395.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine is sourced from PubChem (CID 67361175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).