4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine

C21H25N5 — CID 70723430

IUPAC4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CCCC(c3nccn3Cc3ccccc3)C2)ncn1
InChIInChI=1S/C21H25N5/c1-2-19-13-20(24-16-23-19)25-11-6-9-18(15-25)21-22-10-12-26(21)14-17-7-4-3-5-8-17/h3-5,7-8,10,12-13,16,18H,2,6,9,11,14-15H2,1H3
InChIKeyLSCIJGXKCFUZJQ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.67
Rot. Bonds5

About 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine

4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine (PubChem CID 70723430) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine.

Molecular Properties

Compound Name4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
PubChem CID70723430
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine
SMILESCCc1cc(N2CCCC(c3nccn3Cc3ccccc3)C2)ncn1
InChIInChI=1S/C21H25N5/c1-2-19-13-20(24-16-23-19)25-11-6-9-18(15-25)21-22-10-12-26(21)14-17-7-4-3-5-8-17/h3-5,7-8,10,12-13,16,18H,2,6,9,11,14-15H2,1H3
InChIKeyLSCIJGXKCFUZJQ-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 96573599
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97200300
4-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-2,5,6-trimethylpyrimidine
CID 96571031
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol
CID 97145677
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97131130
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
4-methyl-2-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 72859530
2-methyl-4-propyl-6-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 72906714

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine?
The IUPAC name of 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine (CID 70723430) is 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine.
What is the SMILES notation for 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine?
The canonical SMILES for 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine is CCc1cc(N2CCCC(c3nccn3Cc3ccccc3)C2)ncn1.
What is the InChIKey of 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine?
The InChIKey is LSCIJGXKCFUZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-2-19-13-20(24-16-23-19)25-11-6-9-18(15-25)21-22-10-12-26(21)14-17-7-4-3-5-8-17/h3-5,7-8,10,12-13,16,18H,2,6,9,11,14-15H2,1H3.
What are the key properties of 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine?
4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine has a molecular weight of 347.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-6-ethylpyrimidine is sourced from PubChem (CID 70723430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).