2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

C15H15N3OS — CID 105114551

IUPAC2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCn1c(CC(=O)c2csc(C)n2)nc2ccccc21
InChIInChI=1S/C15H15N3OS/c1-3-18-13-7-5-4-6-11(13)17-15(18)8-14(19)12-9-20-10(2)16-12/h4-7,9H,3,8H2,1-2H3
InChIKeyULJSLDXSGQZBNZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.25
Rot. Bonds4

About 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 105114551) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID105114551
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCn1c(CC(=O)c2csc(C)n2)nc2ccccc21
InChIInChI=1S/C15H15N3OS/c1-3-18-13-7-5-4-6-11(13)17-15(18)8-14(19)12-9-20-10(2)16-12/h4-7,9H,3,8H2,1-2H3
InChIKeyULJSLDXSGQZBNZ-UHFFFAOYSA-N
XLogP3.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-pyrazin-2-ylethanone
CID 79753615
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
1-(5-bromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 105114477
2-(1-ethylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanone
CID 79753775
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
1-(2-bromophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755660
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
1-(2,5-dichlorothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967692
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(2,5-dibromothiophen-3-yl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 107967691
2-(1-ethylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 79753537
1-(3-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79755506

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 105114551) is 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is CCn1c(CC(=O)c2csc(C)n2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ULJSLDXSGQZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-18-13-7-5-4-6-11(13)17-15(18)8-14(19)12-9-20-10(2)16-12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 285.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 105114551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).