2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone

C16H16N2O2S2 — CID 1219951

IUPAC2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C
InChIInChI=1S/C16H16N2O2S2/c1-3-20-11-6-7-13-12(9-11)17-16(18(13)2)22-10-14(19)15-5-4-8-21-15/h4-9H,3,10H2,1-2H3
InChIKeyCZDADQDVRNIROA-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.01
Rot. Bonds6

About 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone

2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone (PubChem CID 1219951) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
PubChem CID1219951
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESCCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C
InChIInChI=1S/C16H16N2O2S2/c1-3-20-11-6-7-13-12(9-11)17-16(18(13)2)22-10-14(19)15-5-4-8-21-15/h4-9H,3,10H2,1-2H3
InChIKeyCZDADQDVRNIROA-UHFFFAOYSA-N
XLogP4.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 25263104
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CID 5328492
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CID 867593
CID 867593
CID 2858180
CID 2858180
CID 2859236
CID 2859236
CID 134134682
CID 134134682
CID 58284814
CID 58284814
CID 58284868
CID 58284868
CID 2878615
CID 2878615
CID 11948873
CID 11948873

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone (CID 1219951) is 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone is CCOc1ccc2c(c1)nc(SCC(=O)c1cccs1)n2C.
What is the InChIKey of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is CZDADQDVRNIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-3-20-11-6-7-13-12(9-11)17-16(18(13)2)22-10-14(19)15-5-4-8-21-15/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone?
2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 332.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 1219951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).