4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine

C21H25N5 — CID 110099477

IUPAC4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
SMILESCc1cnc(-c2cc(CC3CCN(Cc4ccccc4)CC3)ncn2)[nH]1
InChIInChI=1S/C21H25N5/c1-16-13-22-21(25-16)20-12-19(23-15-24-20)11-17-7-9-26(10-8-17)14-18-5-3-2-4-6-18/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,22,25)
InChIKeyPZURKEUFARJZKS-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.63
Rot. Bonds5

About 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine

4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine (PubChem CID 110099477) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
PubChem CID110099477
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
SMILESCc1cnc(-c2cc(CC3CCN(Cc4ccccc4)CC3)ncn2)[nH]1
InChIInChI=1S/C21H25N5/c1-16-13-22-21(25-16)20-12-19(23-15-24-20)11-17-7-9-26(10-8-17)14-18-5-3-2-4-6-18/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,22,25)
InChIKeyPZURKEUFARJZKS-UHFFFAOYSA-N
XLogP3.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-1H-imidazol-2-yl)-6-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]methyl]pyrimidine
CID 124959054
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-(5-methyl-1H-imidazol-2-yl)-6-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyrimidine
CID 110099473
N,N-dimethyl-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidine-1-sulfonamide
CID 110099457
2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110099748
3-[[4-[[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 110152194
4-[[(3R)-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 124991175
2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
CID 161026783
5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125018235
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(5-methyl-1H-imidazol-2-yl)pyrazine
CID 124954433
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine (CID 110099477) is 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine is Cc1cnc(-c2cc(CC3CCN(Cc4ccccc4)CC3)ncn2)[nH]1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
The InChIKey is PZURKEUFARJZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-13-22-21(25-16)20-12-19(23-15-24-20)11-17-7-9-26(10-8-17)14-18-5-3-2-4-6-18/h2-6,12-13,15,17H,7-11,14H2,1H3,(H,22,25).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine?
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine has a molecular weight of 347.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine is sourced from PubChem (CID 110099477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).