7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one

C12H9ClN2OS — CID 117206604

IUPAC7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3c(Cl)cccc32)s1
InChIInChI=1S/C12H9ClN2OS/c1-7-5-6-10(17-7)15-9-4-2-3-8(13)11(9)14-12(15)16/h2-6H,1H3,(H,14,16)
InChIKeyROLCKWFNPHZXSA-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.34
Rot. Bonds1

About 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one

7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one (PubChem CID 117206604) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
PubChem CID117206604
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3c(Cl)cccc32)s1
InChIInChI=1S/C12H9ClN2OS/c1-7-5-6-10(17-7)15-9-4-2-3-8(13)11(9)14-12(15)16/h2-6H,1H3,(H,14,16)
InChIKeyROLCKWFNPHZXSA-UHFFFAOYSA-N
XLogP3.34
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206622
7-chloro-3-(4-fluorophenyl)-1H-benzimidazol-2-one
CID 117206889
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
7-hydroxy-3-thiophen-2-yl-1H-benzimidazol-2-one
CID 117206617
5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208184
4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208982
2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83834899
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
3-(4-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206903
5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261010
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one (CID 117206604) is 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one is Cc1ccc(-n2c(=O)[nH]c3c(Cl)cccc32)s1.
What is the InChIKey of 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The InChIKey is ROLCKWFNPHZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-7-5-6-10(17-7)15-9-4-2-3-8(13)11(9)14-12(15)16/h2-6H,1H3,(H,14,16).
What are the key properties of 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one has a molecular weight of 264.74 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).