5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one

C17H14N4O2S — CID 40829649

IUPAC5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one
SMILESCn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C17H14N4O2S/c1-21-14-5-3-2-4-12(14)20-17(21)24-9-15(22)10-6-7-11-13(8-10)19-16(23)18-11/h2-8H,9H2,1H3,(H2,18,19,23)
InChIKeyICRZQSXVMVYJDL-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.72
Rot. Bonds4

About 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one

5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 40829649) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID40829649
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one
SMILESCn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C17H14N4O2S/c1-21-14-5-3-2-4-12(14)20-17(21)24-9-15(22)10-6-7-11-13(8-10)19-16(23)18-11/h2-8H,9H2,1H3,(H2,18,19,23)
InChIKeyICRZQSXVMVYJDL-UHFFFAOYSA-N
XLogP2.72
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetyl]-1,3-dihydrobenzimidazol-2-one
CID 46303565
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 3414962
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 4524981
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 78771129
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 3655188
1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
CID 3982798
(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 33249136

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one (CID 40829649) is 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one is Cn1c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)nc2ccccc21.
What is the InChIKey of 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ICRZQSXVMVYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-21-14-5-3-2-4-12(14)20-17(21)24-9-15(22)10-6-7-11-13(8-10)19-16(23)18-11/h2-8H,9H2,1H3,(H2,18,19,23).
What are the key properties of 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 338.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 40829649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).