1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride

C21H28ClN5 — CID 118741677

IUPAC1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
SMILESCC(Cn1cncc1-c1cnn(Cc2ccccc2)c1)N1CCCCC1.Cl
InChIInChI=1S/C21H27N5.ClH/c1-18(24-10-6-3-7-11-24)14-25-17-22-13-21(25)20-12-23-26(16-20)15-19-8-4-2-5-9-19;/h2,4-5,8-9,12-13,16-18H,3,6-7,10-11,14-15H2,1H3;1H
InChIKeyVLMWXHGWKJAELF-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.09
Rot. Bonds6

About 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride

1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride (PubChem CID 118741677) has the molecular formula C21H28ClN5 and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
PubChem CID118741677
Molecular FormulaC21H28ClN5
Molecular Weight385.94 g/mol
Exact Mass385.20
IUPAC Name1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
SMILESCC(Cn1cncc1-c1cnn(Cc2ccccc2)c1)N1CCCCC1.Cl
InChIInChI=1S/C21H27N5.ClH/c1-18(24-10-6-3-7-11-24)14-25-17-22-13-21(25)20-12-23-26(16-20)15-19-8-4-2-5-9-19;/h2,4-5,8-9,12-13,16-18H,3,6-7,10-11,14-15H2,1H3;1H
InChIKeyVLMWXHGWKJAELF-UHFFFAOYSA-N
XLogP4.09
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
The IUPAC name of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride (CID 118741677) is 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride is CC(Cn1cncc1-c1cnn(Cc2ccccc2)c1)N1CCCCC1.Cl.
What is the InChIKey of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
The InChIKey is VLMWXHGWKJAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5.ClH/c1-18(24-10-6-3-7-11-24)14-25-17-22-13-21(25)20-12-23-26(16-20)15-19-8-4-2-5-9-19;/h2,4-5,8-9,12-13,16-18H,3,6-7,10-11,14-15H2,1H3;1H.
What are the key properties of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride?
1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride is sourced from PubChem (CID 118741677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).