2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole

C12H15N3S — CID 56701164

IUPAC2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(CN3CCCC3)s2)n1
InChIInChI=1S/C12H15N3S/c1-2-8-15(7-1)9-10-3-4-11(16-10)12-13-5-6-14-12/h3-6H,1-2,7-9H2,(H,13,14)
InChIKeyPAJAJDAJMQAGNX-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.73
Rot. Bonds3

About 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole

2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole (PubChem CID 56701164) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole
PubChem CID56701164
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(CN3CCCC3)s2)n1
InChIInChI=1S/C12H15N3S/c1-2-8-15(7-1)9-10-3-4-11(16-10)12-13-5-6-14-12/h3-6H,1-2,7-9H2,(H,13,14)
InChIKeyPAJAJDAJMQAGNX-UHFFFAOYSA-N
XLogP2.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole?
The IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole (CID 56701164) is 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole is c1c[nH]c(-c2ccc(CN3CCCC3)s2)n1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole?
The InChIKey is PAJAJDAJMQAGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-8-15(7-1)9-10-3-4-11(16-10)12-13-5-6-14-12/h3-6H,1-2,7-9H2,(H,13,14).
What are the key properties of 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole?
2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole has a molecular weight of 233.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-imidazole is sourced from PubChem (CID 56701164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).