[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea

C10H12N4OS — CID 169356684

IUPAC[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
SMILESCC(O)c1nc2ccc(NC(N)=S)cc2[nH]1
InChIInChI=1S/C10H12N4OS/c1-5(15)9-13-7-3-2-6(12-10(11)16)4-8(7)14-9/h2-5,15H,1H3,(H,13,14)(H3,11,12,16)
InChIKeyUQMXUBMXQVJKAU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.27
Rot. Bonds2

About [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea

[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea (PubChem CID 169356684) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea.

Molecular Properties

Compound Name[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
PubChem CID169356684
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
SMILESCC(O)c1nc2ccc(NC(N)=S)cc2[nH]1
InChIInChI=1S/C10H12N4OS/c1-5(15)9-13-7-3-2-6(12-10(11)16)4-8(7)14-9/h2-5,15H,1H3,(H,13,14)(H3,11,12,16)
InChIKeyUQMXUBMXQVJKAU-UHFFFAOYSA-N
XLogP1.27
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
(1R)-1-(6-amino-1H-benzimidazol-2-yl)ethanol
CID 41455600
[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
CID 169357931
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131925459
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 131932478

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea?
The IUPAC name of [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea (CID 169356684) is [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea.
What is the SMILES notation for [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea?
The canonical SMILES for [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea is CC(O)c1nc2ccc(NC(N)=S)cc2[nH]1.
What is the InChIKey of [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea?
The InChIKey is UQMXUBMXQVJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-5(15)9-13-7-3-2-6(12-10(11)16)4-8(7)14-9/h2-5,15H,1H3,(H,13,14)(H3,11,12,16).
What are the key properties of [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea?
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea has a molecular weight of 236.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea is sourced from PubChem (CID 169356684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).