4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine

C17H25N3S — CID 114718487

IUPAC4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
SMILESCc1cc(C(C)n2cncc2C2(C)CCNCC2)c(C)s1
InChIInChI=1S/C17H25N3S/c1-12-9-15(14(3)21-12)13(2)20-11-19-10-16(20)17(4)5-7-18-8-6-17/h9-11,13,18H,5-8H2,1-4H3
InChIKeyXAKHIRZJBFCSRY-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.81
Rot. Bonds3

About 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine

4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine (PubChem CID 114718487) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
PubChem CID114718487
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
SMILESCc1cc(C(C)n2cncc2C2(C)CCNCC2)c(C)s1
InChIInChI=1S/C17H25N3S/c1-12-9-15(14(3)21-12)13(2)20-11-19-10-16(20)17(4)5-7-18-8-6-17/h9-11,13,18H,5-8H2,1-4H3
InChIKeyXAKHIRZJBFCSRY-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine (CID 114718487) is 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine is Cc1cc(C(C)n2cncc2C2(C)CCNCC2)c(C)s1.
What is the InChIKey of 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
The InChIKey is XAKHIRZJBFCSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-12-9-15(14(3)21-12)13(2)20-11-19-10-16(20)17(4)5-7-18-8-6-17/h9-11,13,18H,5-8H2,1-4H3.
What are the key properties of 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine?
4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine has a molecular weight of 303.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 114718487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).