2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone

C14H17N3O2S — CID 596425

IUPAC2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cccc2[nH]c(SCC(=O)N3CCOCC3)nc12
InChIInChI=1S/C14H17N3O2S/c1-10-3-2-4-11-13(10)16-14(15-11)20-9-12(18)17-5-7-19-8-6-17/h2-4H,5-9H2,1H3,(H,15,16)
InChIKeyRSDREIGQIDJMSY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.82
Rot. Bonds3

About 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone

2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 596425) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID596425
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1cccc2[nH]c(SCC(=O)N3CCOCC3)nc12
InChIInChI=1S/C14H17N3O2S/c1-10-3-2-4-11-13(10)16-14(15-11)20-9-12(18)17-5-7-19-8-6-17/h2-4H,5-9H2,1H3,(H,15,16)
InChIKeyRSDREIGQIDJMSY-UHFFFAOYSA-N
XLogP1.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 596425) is 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone is Cc1cccc2[nH]c(SCC(=O)N3CCOCC3)nc12.
What is the InChIKey of 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is RSDREIGQIDJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-3-2-4-11-13(10)16-14(15-11)20-9-12(18)17-5-7-19-8-6-17/h2-4H,5-9H2,1H3,(H,15,16).
What are the key properties of 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 291.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 596425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).