5-ethoxy-1,3-dihydrobenzimidazole-2-thione

C9H10N2OS — CID 790793

IUPAC5-ethoxy-1,3-dihydrobenzimidazole-2-thione
SMILESCCOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChIKeyWUSCBOFBIYZVCQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.62
Rot. Bonds2

About 5-ethoxy-1,3-dihydrobenzimidazole-2-thione

5-ethoxy-1,3-dihydrobenzimidazole-2-thione (PubChem CID 790793) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-ethoxy-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-ethoxy-1,3-dihydrobenzimidazole-2-thione
PubChem CID790793
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name5-ethoxy-1,3-dihydrobenzimidazole-2-thione
SMILESCCOc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
InChIKeyWUSCBOFBIYZVCQ-UHFFFAOYSA-N
XLogP2.62
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-mercaptobenzimidazole
CID 665603
5-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 9843062
5-ethoxy-1-methyl-1H-benzimidazole-2-thiol
CID 760266
3-(2-phenoxyethyl)-1H-benzimidazole-2-thione
CID 761457
6,7-dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[d]imidazole-2-thiol
CID 2775269
4-Ethoxyphenylthiourea
CID 853569
(3-Methoxyphenyl)thiourea
CID 696326
N-(4-ethoxyphenyl)pyrrolidine-1-carbothioamide
CID 7942188
(3-Phenoxyphenyl)thiourea
CID 5277305
5-[2-(4-Phenylpiperazin-1-yl)ethoxy]-1,3-dihydrobenzimidazole-2-thione
CID 11451082
5-(Difluoromethoxy)-1H-benzimidazole-2-thiol
CID 5064774
N-(3-methoxyphenyl)pyrrolidine-1-carbothioamide
CID 797391

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione (CID 790793) is 5-ethoxy-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-ethoxy-1,3-dihydrobenzimidazole-2-thione is CCOc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is WUSCBOFBIYZVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13).
What are the key properties of 5-ethoxy-1,3-dihydrobenzimidazole-2-thione?
5-ethoxy-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 194.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 790793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).