1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine

C23H31N5 — CID 46980610

IUPAC1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine
SMILESCCC(CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C23H31N5/c1-3-21(17-26-12-8-5-9-13-26)27-18-24-15-23(27)22-14-25-28(19(22)2)16-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,21H,3,5,8-9,12-13,16-17H2,1-2H3
InChIKeyXLLWPQGSENBLAU-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.54
Rot. Bonds7

About 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine

1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine (PubChem CID 46980610) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine
PubChem CID46980610
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine
SMILESCCC(CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C23H31N5/c1-3-21(17-26-12-8-5-9-13-26)27-18-24-15-23(27)22-14-25-28(19(22)2)16-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,21H,3,5,8-9,12-13,16-17H2,1-2H3
InChIKeyXLLWPQGSENBLAU-UHFFFAOYSA-N
XLogP4.54
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole
CID 92628720
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104942805
1-benzylpyrrolidine;propane
CID 143692089
5-(1-benzyl-5-methylpyrazol-4-yl)-2-methylthiophen-3-amine
CID 172705688
1-benzyl-4-bromo-5-methylpyrazole
CID 15129851
1-benzylazepane
CID 10954328
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine
CID 46980346
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111414967
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine?
The IUPAC name of 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine (CID 46980610) is 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine.
What is the SMILES notation for 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine?
The canonical SMILES for 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine is CCC(CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C.
What is the InChIKey of 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine?
The InChIKey is XLLWPQGSENBLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-3-21(17-26-12-8-5-9-13-26)27-18-24-15-23(27)22-14-25-28(19(22)2)16-20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,21H,3,5,8-9,12-13,16-17H2,1-2H3.
What are the key properties of 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine?
1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine has a molecular weight of 377.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(1-benzyl-5-methylpyrazol-4-yl)imidazol-1-yl]butyl]piperidine is sourced from PubChem (CID 46980610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).