3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one

C12H9ClN2O2S — CID 117206622

IUPAC3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2-c1ccc(Cl)s1
InChIInChI=1S/C12H9ClN2O2S/c1-17-8-4-2-3-7-11(8)14-12(16)15(7)10-6-5-9(13)18-10/h2-6H,1H3,(H,14,16)
InChIKeyNVEHRAFSKBMHGA-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.04
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one

3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one (PubChem CID 117206622) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one
PubChem CID117206622
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2-c1ccc(Cl)s1
InChIInChI=1S/C12H9ClN2O2S/c1-17-8-4-2-3-7-11(8)14-12(16)15(7)10-6-5-9(13)18-10/h2-6H,1H3,(H,14,16)
InChIKeyNVEHRAFSKBMHGA-UHFFFAOYSA-N
XLogP3.04
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117206604
3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one
CID 117206866
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261970
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208982
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261010
8-methoxy-3-(2-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261966
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one (CID 117206622) is 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one?
The InChIKey is NVEHRAFSKBMHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c1-17-8-4-2-3-7-11(8)14-12(16)15(7)10-6-5-9(13)18-10/h2-6H,1H3,(H,14,16).
What are the key properties of 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one?
3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one has a molecular weight of 280.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-7-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).