1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone

C13H11N3OS — CID 116867483

IUPAC1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C13H11N3OS/c1-8(17)13-15-11(6-18-13)9-3-4-12-10(5-9)14-7-16(12)2/h3-7H,1-2H3
InChIKeyVCNBIBKPYXCRSL-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.90
Rot. Bonds2

About 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone

1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 116867483) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID116867483
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C13H11N3OS/c1-8(17)13-15-11(6-18-13)9-3-4-12-10(5-9)14-7-16(12)2/h3-7H,1-2H3
InChIKeyVCNBIBKPYXCRSL-UHFFFAOYSA-N
XLogP2.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
1-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanone
CID 116867478
4-(1-methylbenzimidazol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566814
1-[4-(4-iodophenyl)-1,3-thiazol-2-yl]ethanone
CID 104623092
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
CID 116897305
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
[2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-4-yl]methanol
CID 116889071
4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 158900743
3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
CID 87941730
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone (CID 116867483) is 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2ccc3c(c2)ncn3C)cs1.
What is the InChIKey of 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is VCNBIBKPYXCRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8(17)13-15-11(6-18-13)9-3-4-12-10(5-9)14-7-16(12)2/h3-7H,1-2H3.
What are the key properties of 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone?
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 257.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 116867483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).