4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine

C17H19N3OS — CID 110105450

IUPAC4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc(C2COCCN2Cc2cc3ccccc3s2)[nH]1
InChIInChI=1S/C17H19N3OS/c1-12-9-18-17(19-12)15-11-21-7-6-20(15)10-14-8-13-4-2-3-5-16(13)22-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyGBTZSNHMBZNPIV-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.51
Rot. Bonds3

About 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine

4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 110105450) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID110105450
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc(C2COCCN2Cc2cc3ccccc3s2)[nH]1
InChIInChI=1S/C17H19N3OS/c1-12-9-18-17(19-12)15-11-21-7-6-20(15)10-14-8-13-4-2-3-5-16(13)22-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyGBTZSNHMBZNPIV-UHFFFAOYSA-N
XLogP3.51
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine (CID 110105450) is 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine is Cc1cnc(C2COCCN2Cc2cc3ccccc3s2)[nH]1.
What is the InChIKey of 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is GBTZSNHMBZNPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-12-9-18-17(19-12)15-11-21-7-6-20(15)10-14-8-13-4-2-3-5-16(13)22-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine?
4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 313.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-ylmethyl)-3-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 110105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).