2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine

C19H21N5 — CID 141298121

IUPAC2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine
SMILESc1ccc(-c2cn(C3CCN(Cc4ncccn4)CC3)cn2)cc1
InChIInChI=1S/C19H21N5/c1-2-5-16(6-3-1)18-13-24(15-22-18)17-7-11-23(12-8-17)14-19-20-9-4-10-21-19/h1-6,9-10,13,15,17H,7-8,11-12,14H2
InChIKeyOGIKRHDQPJEMIS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.18
Rot. Bonds4

About 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine

2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 141298121) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine
PubChem CID141298121
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine
SMILESc1ccc(-c2cn(C3CCN(Cc4ncccn4)CC3)cn2)cc1
InChIInChI=1S/C19H21N5/c1-2-5-16(6-3-1)18-13-24(15-22-18)17-7-11-23(12-8-17)14-19-20-9-4-10-21-19/h1-6,9-10,13,15,17H,7-8,11-12,14H2
InChIKeyOGIKRHDQPJEMIS-UHFFFAOYSA-N
XLogP3.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(1-benzylpiperidin-4-yl)imidazol-4-yl]-2-phenylpyrimidine
CID 67361175
3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 141298114
2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141298129
3-[4-[[4-[4-(aminomethyl)imidazol-1-yl]piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid
CID 142817345
2-(azetidin-1-ylmethyl)pyrimidine
CID 141298122
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
2-[[4-(2,2-dimethylpropyl)piperidin-1-yl]methyl]pyrimidine
CID 66805437
2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]pyrimidine
CID 82691618
4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine
CID 155674763
3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]oxypropanoic acid
CID 63904751
1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethanone
CID 63845978
2-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]pyridine
CID 174616715

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine (CID 141298121) is 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine is c1ccc(-c2cn(C3CCN(Cc4ncccn4)CC3)cn2)cc1.
What is the InChIKey of 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is OGIKRHDQPJEMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-5-16(6-3-1)18-13-24(15-22-18)17-7-11-23(12-8-17)14-19-20-9-4-10-21-19/h1-6,9-10,13,15,17H,7-8,11-12,14H2.
What are the key properties of 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine?
2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 319.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylimidazol-1-yl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 141298121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).