4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine

C15H21N3OS — CID 747184

IUPAC4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
SMILESCc1cc2nc(SCCN3CCOCC3)[nH]c2cc1C
InChIInChI=1S/C15H21N3OS/c1-11-9-13-14(10-12(11)2)17-15(16-13)20-8-5-18-3-6-19-7-4-18/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyJMRUUOVLPSXXQH-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.60
Rot. Bonds4

About 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine

4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine (PubChem CID 747184) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
PubChem CID747184
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
SMILESCc1cc2nc(SCCN3CCOCC3)[nH]c2cc1C
InChIInChI=1S/C15H21N3OS/c1-11-9-13-14(10-12(11)2)17-15(16-13)20-8-5-18-3-6-19-7-4-18/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyJMRUUOVLPSXXQH-UHFFFAOYSA-N
XLogP2.60
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylthio)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
CID 2234072
N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2433271
2-[(5-methyl-1H-benzimidazol-2-yl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810019
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
CID 4809882
6-methyl-2-(oxan-2-ylmethylsulfanyl)-1H-benzimidazole
CID 4964219
Ethanone, 2-(4-methyl-2-benzimidazolylthio)-1-(4-morpholyl)-
CID 596425
4-(1H-Benzoimidazol-2-ylsulfanylmethyl)-6-morpholin-4-yl-[1,3,5]triazin-2-ylamine
CID 645619
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 732222
5,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-benzimidazole
CID 747185
N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 755576
N-cyclopropyl-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2389481
2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 2522982

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine (CID 747184) is 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine is Cc1cc2nc(SCCN3CCOCC3)[nH]c2cc1C.
What is the InChIKey of 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
The InChIKey is JMRUUOVLPSXXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-9-13-14(10-12(11)2)17-15(16-13)20-8-5-18-3-6-19-7-4-18/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine?
4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine has a molecular weight of 291.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine is sourced from PubChem (CID 747184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).