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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Related Compounds

(3R)-3-(5-methyl-1H-imidazol-2-yl)-4-(naphthalen-1-ylmethyl)morpholine
CID 124963811
3-(5-methyl-1H-imidazol-2-yl)-4-(quinolin-4-ylmethyl)morpholine
CID 110105436
3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 110105489
3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]-4-(quinolin-3-ylmethyl)morpholine
CID 162822083
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]oxan-4-ol
CID 125025974
(3S)-4-[2-(4-fluorophenoxy)ethyl]-3-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125021783
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 71694284
2-[(2R)-1-(1-benzothiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124961471

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).