1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine

C14H19N3S — CID 114283536

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cc2c(s1)CCC2)c1cnc(C)n1C
InChIInChI=1S/C14H19N3S/c1-9-16-8-11(17(9)3)14(15-2)13-7-10-5-4-6-12(10)18-13/h7-8,14-15H,4-6H2,1-3H3
InChIKeyZPLWFUSFKLWNPZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.59
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine (PubChem CID 114283536) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
PubChem CID114283536
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cc2c(s1)CCC2)c1cnc(C)n1C
InChIInChI=1S/C14H19N3S/c1-9-16-8-11(17(9)3)14(15-2)13-7-10-5-4-6-12(10)18-13/h7-8,14-15H,4-6H2,1-3H3
InChIKeyZPLWFUSFKLWNPZ-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine (CID 114283536) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine is CNC(c1cc2c(s1)CCC2)c1cnc(C)n1C.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
The InChIKey is ZPLWFUSFKLWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-16-8-11(17(9)3)14(15-2)13-7-10-5-4-6-12(10)18-13/h7-8,14-15H,4-6H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine has a molecular weight of 261.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 114283536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).