4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine

C16H20ClN3 — CID 114717692

IUPAC4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCc1ccc(Cl)cc1-n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H20ClN3/c1-12-3-4-13(17)9-14(12)20-11-19-10-15(20)16(2)5-7-18-8-6-16/h3-4,9-11,18H,5-8H2,1-2H3
InChIKeyGVRPJBNMXOCDSB-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.48
Rot. Bonds2

About 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine

4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 114717692) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID114717692
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCc1ccc(Cl)cc1-n1cncc1C1(C)CCNCC1
InChIInChI=1S/C16H20ClN3/c1-12-3-4-13(17)9-14(12)20-11-19-10-15(20)16(2)5-7-18-8-6-16/h3-4,9-11,18H,5-8H2,1-2H3
InChIKeyGVRPJBNMXOCDSB-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine
CID 107641191
1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114721409
4-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 107641165
4-[3-(5-bromo-2-fluorophenyl)imidazol-4-yl]-4-methylpiperidine
CID 114718003
4-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114721544
4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine
CID 114717532
2-methyl-6-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]benzonitrile
CID 107802244
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716752
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
CID 114720897
1-(5-bromo-4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 107590631
1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718002
4-[3-(5-bromo-2-methoxyphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114719638

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine (CID 114717692) is 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine is Cc1ccc(Cl)cc1-n1cncc1C1(C)CCNCC1.
What is the InChIKey of 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is GVRPJBNMXOCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-3-4-13(17)9-14(12)20-11-19-10-15(20)16(2)5-7-18-8-6-16/h3-4,9-11,18H,5-8H2,1-2H3.
What are the key properties of 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine has a molecular weight of 289.81 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114717692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).