5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C16H19N3OS — CID 79499507

IUPAC5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2csc3ccccc23)N1CC1CCCO1
InChIInChI=1S/C16H19N3OS/c17-16-18-8-14(19(16)9-11-4-3-7-20-11)13-10-21-15-6-2-1-5-12(13)15/h1-2,5-6,10-11,14H,3-4,7-9H2,(H2,17,18)
InChIKeyZTUQJNYDXNDYDC-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.75
Rot. Bonds3

About 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499507) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499507
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2csc3ccccc23)N1CC1CCCO1
InChIInChI=1S/C16H19N3OS/c17-16-18-8-14(19(16)9-11-4-3-7-20-11)13-10-21-15-6-2-1-5-12(13)15/h1-2,5-6,10-11,14H,3-4,7-9H2,(H2,17,18)
InChIKeyZTUQJNYDXNDYDC-UHFFFAOYSA-N
XLogP2.75
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79499507) is 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2csc3ccccc23)N1CC1CCCO1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is ZTUQJNYDXNDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-16-18-8-14(19(16)9-11-4-3-7-20-11)13-10-21-15-6-2-1-5-12(13)15/h1-2,5-6,10-11,14H,3-4,7-9H2,(H2,17,18).
What are the key properties of 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 301.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).