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

C13H11N3OS — CID 63379627

IUPAC1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2nc3ccccc3n2C)cs1
InChIInChI=1S/C13H11N3OS/c1-8(17)13-15-10(7-18-13)12-14-9-5-3-4-6-11(9)16(12)2/h3-7H,1-2H3
InChIKeyYKTXVDKWLCALJU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.90
Rot. Bonds2

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

1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 63379627) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID63379627
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2nc3ccccc3n2C)cs1
InChIInChI=1S/C13H11N3OS/c1-8(17)13-15-10(7-18-13)12-14-9-5-3-4-6-11(9)16(12)2/h3-7H,1-2H3
InChIKeyYKTXVDKWLCALJU-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

4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61336692
1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 71442196
N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 139222094
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 139972742
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
CID 116532988

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone (CID 63379627) is 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2nc3ccccc3n2C)cs1.
What is the InChIKey of 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is YKTXVDKWLCALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8(17)13-15-10(7-18-13)12-14-9-5-3-4-6-11(9)16(12)2/h3-7H,1-2H3.
What are the key properties of 1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone?
1-[4-(1-methylbenzimidazol-2-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-2-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 63379627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).