1-amino-3-ethylbenzimidazole-2-thione

C9H11N3S — CID 827917

IUPAC1-amino-3-ethylbenzimidazole-2-thione
SMILESCCn1c(=S)n(N)c2ccccc21
InChIInChI=1S/C9H11N3S/c1-2-11-7-5-3-4-6-8(7)12(10)9(11)13/h3-6H,2,10H2,1H3
InChIKeyBVNUOOOSLGRVEC-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.91
Rot. Bonds1

About 1-amino-3-ethylbenzimidazole-2-thione

1-amino-3-ethylbenzimidazole-2-thione (PubChem CID 827917) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-amino-3-ethylbenzimidazole-2-thione.

Molecular Properties

Compound Name1-amino-3-ethylbenzimidazole-2-thione
PubChem CID827917
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-amino-3-ethylbenzimidazole-2-thione
SMILESCCn1c(=S)n(N)c2ccccc21
InChIInChI=1S/C9H11N3S/c1-2-11-7-5-3-4-6-8(7)12(10)9(11)13/h3-6H,2,10H2,1H3
InChIKeyBVNUOOOSLGRVEC-UHFFFAOYSA-N
XLogP1.91
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-phenyl-2-sulfanylidenequinazolin-4-one
CID 14043337
N-[(1,3-diethylbenzimidazol-2-ylidene)amino]-1,3-diethylbenzimidazol-2-imine
CID 138981972
3-ethyl-1,3-benzothiazole-2-thione
CID 597606
2-imino-3-propylbenzimidazol-1-amine;hydroiodide
CID 2853922
1-ethyl-3-methylquinoxaline-2-thione
CID 146015013
2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine
CID 82167476
2-[4-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35952699
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
4-[[2-(dimethylamino)ethyl-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]amino]methyl]benzonitrile
CID 56503478
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
1-ethyl-2,3-dimethylbenzimidazol-3-ium iodide
CID 21205372

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethylbenzimidazole-2-thione?
The IUPAC name of 1-amino-3-ethylbenzimidazole-2-thione (CID 827917) is 1-amino-3-ethylbenzimidazole-2-thione.
What is the SMILES notation for 1-amino-3-ethylbenzimidazole-2-thione?
The canonical SMILES for 1-amino-3-ethylbenzimidazole-2-thione is CCn1c(=S)n(N)c2ccccc21.
What is the InChIKey of 1-amino-3-ethylbenzimidazole-2-thione?
The InChIKey is BVNUOOOSLGRVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-11-7-5-3-4-6-8(7)12(10)9(11)13/h3-6H,2,10H2,1H3.
What are the key properties of 1-amino-3-ethylbenzimidazole-2-thione?
1-amino-3-ethylbenzimidazole-2-thione has a molecular weight of 193.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethylbenzimidazole-2-thione is sourced from PubChem (CID 827917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).