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

C13H12N2O2S — CID 117208184

IUPAC5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(-c3ccc(C)s3)c2c1
InChIInChI=1S/C13H12N2O2S/c1-8-3-6-12(18-8)15-11-7-9(17-2)4-5-10(11)14-13(15)16/h3-7H,1-2H3,(H,14,16)
InChIKeyPXSFOXXFKIEUFU-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.70
Rot. Bonds2

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

5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one (PubChem CID 117208184) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
PubChem CID117208184
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(=O)n(-c3ccc(C)s3)c2c1
InChIInChI=1S/C13H12N2O2S/c1-8-3-6-12(18-8)15-11-7-9(17-2)4-5-10(11)14-13(15)16/h3-7H,1-2H3,(H,14,16)
InChIKeyPXSFOXXFKIEUFU-UHFFFAOYSA-N
XLogP2.70
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117208982
5-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261010
5-methoxy-3-(thian-3-yl)-1H-benzimidazol-2-one
CID 117207920
6-methoxy-3-thiophen-2-yl-1H-quinazoline-2,4-dione
CID 117261301
6-methoxy-4-methyl-1H-quinoxaline-2,3-dione
CID 13437023
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
7-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261702
5-methoxy-3-(thiolan-3-yl)-1H-benzimidazol-2-one
CID 117207767
7-chloro-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one
CID 117206604
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one (CID 117208184) is 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one is COc1ccc2[nH]c(=O)n(-c3ccc(C)s3)c2c1.
What is the InChIKey of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
The InChIKey is PXSFOXXFKIEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-3-6-12(18-8)15-11-7-9(17-2)4-5-10(11)14-13(15)16/h3-7H,1-2H3,(H,14,16).
What are the key properties of 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one?
5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one has a molecular weight of 260.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(5-methylthiophen-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).