benzimidazol-1-yl(1,3-thiazol-4-yl)methanone

C11H7N3OS — CID 110462180

IUPACbenzimidazol-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)n1cnc2ccccc21
InChIInChI=1S/C11H7N3OS/c15-11(9-5-16-7-13-9)14-6-12-8-3-1-2-4-10(8)14/h1-7H
InChIKeyIJBPSUYELAQCAA-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.18
Rot. Bonds1

About benzimidazol-1-yl(1,3-thiazol-4-yl)methanone

benzimidazol-1-yl(1,3-thiazol-4-yl)methanone (PubChem CID 110462180) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is benzimidazol-1-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl(1,3-thiazol-4-yl)methanone
PubChem CID110462180
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Namebenzimidazol-1-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)n1cnc2ccccc21
InChIInChI=1S/C11H7N3OS/c15-11(9-5-16-7-13-9)14-6-12-8-3-1-2-4-10(8)14/h1-7H
InChIKeyIJBPSUYELAQCAA-UHFFFAOYSA-N
XLogP2.18
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
CID 84554105
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
benzimidazol-1-yl(1H-imidazol-2-yl)methanone
CID 110466447
(5-aminofuran-2-yl)-(benzimidazol-1-yl)methanone
CID 82344378
benzimidazol-1-yl-(3,4-dimethylphenyl)methanone
CID 741948
N-phenylbenzimidazole-1-carboxamide
CID 13125705
bromomethyl benzimidazole-1-carboxylate
CID 135347541
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
benzimidazol-1-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110475069
(3-amino-1,2,4-triazol-1-yl)-(1,3-thiazol-4-yl)methanone
CID 110485038
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 11425053

Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of benzimidazol-1-yl(1,3-thiazol-4-yl)methanone (CID 110462180) is benzimidazol-1-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for benzimidazol-1-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for benzimidazol-1-yl(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)n1cnc2ccccc21.
What is the InChIKey of benzimidazol-1-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is IJBPSUYELAQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-11(9-5-16-7-13-9)14-6-12-8-3-1-2-4-10(8)14/h1-7H.
What are the key properties of benzimidazol-1-yl(1,3-thiazol-4-yl)methanone?
benzimidazol-1-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 229.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110462180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).