(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone

C12H9N3OS — CID 84554105

IUPAC(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCc1nc2ccccc2n1C(=O)c1cscn1
InChIInChI=1S/C12H9N3OS/c1-8-14-9-4-2-3-5-11(9)15(8)12(16)10-6-17-7-13-10/h2-7H,1H3
InChIKeyUSTJPHORAPLUEU-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.49
Rot. Bonds1

About (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone

(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 84554105) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID84554105
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCc1nc2ccccc2n1C(=O)c1cscn1
InChIInChI=1S/C12H9N3OS/c1-8-14-9-4-2-3-5-11(9)15(8)12(16)10-6-17-7-13-10/h2-7H,1H3
InChIKeyUSTJPHORAPLUEU-UHFFFAOYSA-N
XLogP2.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzimidazol-1-yl(1,3-thiazol-4-yl)methanone
CID 110462180
1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 11425053
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
(3-chloro-1-benzothiophen-2-yl)-(2-methylbenzimidazol-1-yl)methanone
CID 5133515
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(2-methylbenzimidazol-1-yl)methanone
CID 84555028
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
(4-chloro-3,5-dinitrophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 4634432
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
methyl 2-methylbenzimidazole-1-carbodithioate;hydrochloride
CID 122182169
2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
CID 67187186
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
CID 84750974

Frequently Asked Questions

What is the IUPAC name of (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone (CID 84554105) is (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone is Cc1nc2ccccc2n1C(=O)c1cscn1.
What is the InChIKey of (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is USTJPHORAPLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-14-9-4-2-3-5-11(9)15(8)12(16)10-6-17-7-13-10/h2-7H,1H3.
What are the key properties of (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone?
(2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 243.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylbenzimidazol-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 84554105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).