1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole

C17H20N4OS — CID 56740342

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole
SMILESc1cn(CCc2cnc[nH]2)c(-c2ccc(C3CCCCO3)s2)n1
InChIInChI=1S/C17H20N4OS/c1-2-10-22-14(3-1)15-4-5-16(23-15)17-19-7-9-21(17)8-6-13-11-18-12-20-13/h4-5,7,9,11-12,14H,1-3,6,8,10H2,(H,18,20)
InChIKeyPRKKSDJQQPCCSP-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole

1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole (PubChem CID 56740342) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole
PubChem CID56740342
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole
SMILESc1cn(CCc2cnc[nH]2)c(-c2ccc(C3CCCCO3)s2)n1
InChIInChI=1S/C17H20N4OS/c1-2-10-22-14(3-1)15-4-5-16(23-15)17-19-7-9-21(17)8-6-13-11-18-12-20-13/h4-5,7,9,11-12,14H,1-3,6,8,10H2,(H,18,20)
InChIKeyPRKKSDJQQPCCSP-UHFFFAOYSA-N
XLogP3.82
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole (CID 56740342) is 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole is c1cn(CCc2cnc[nH]2)c(-c2ccc(C3CCCCO3)s2)n1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole?
The InChIKey is PRKKSDJQQPCCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-10-22-14(3-1)15-4-5-16(23-15)17-19-7-9-21(17)8-6-13-11-18-12-20-13/h4-5,7,9,11-12,14H,1-3,6,8,10H2,(H,18,20).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole?
1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole has a molecular weight of 328.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-2-[5-(oxan-2-yl)thiophen-2-yl]imidazole is sourced from PubChem (CID 56740342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).