1-(1H-benzimidazol-2-yl)-1-sulfanylurea

C8H8N4OS — CID 87929261

IUPAC1-(1H-benzimidazol-2-yl)-1-sulfanylurea
SMILESNC(=O)N(S)c1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N4OS/c9-7(13)12(14)8-10-5-3-1-2-4-6(5)11-8/h1-4,14H,(H2,9,13)(H,10,11)
InChIKeyUSUZGJGBKOOFSU-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.29
Rot. Bonds1

About 1-(1H-benzimidazol-2-yl)-1-sulfanylurea

1-(1H-benzimidazol-2-yl)-1-sulfanylurea (PubChem CID 87929261) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-1-sulfanylurea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-1-sulfanylurea
PubChem CID87929261
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name1-(1H-benzimidazol-2-yl)-1-sulfanylurea
SMILESNC(=O)N(S)c1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N4OS/c9-7(13)12(14)8-10-5-3-1-2-4-6(5)11-8/h1-4,14H,(H2,9,13)(H,10,11)
InChIKeyUSUZGJGBKOOFSU-UHFFFAOYSA-N
XLogP1.29
TPSA75.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
CID 69230726
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
CID 101039162
CID 101039162
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
methyl N-(1H-benzimidazol-2-yl)-N-nitrosocarbamate
CID 24834823
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
CID 90287555
1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
CID 91134350
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 132781902
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-1-sulfanylurea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-1-sulfanylurea (CID 87929261) is 1-(1H-benzimidazol-2-yl)-1-sulfanylurea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-1-sulfanylurea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-1-sulfanylurea is NC(=O)N(S)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-1-sulfanylurea?
The InChIKey is USUZGJGBKOOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-7(13)12(14)8-10-5-3-1-2-4-6(5)11-8/h1-4,14H,(H2,9,13)(H,10,11).
What are the key properties of 1-(1H-benzimidazol-2-yl)-1-sulfanylurea?
1-(1H-benzimidazol-2-yl)-1-sulfanylurea has a molecular weight of 208.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-1-sulfanylurea is sourced from PubChem (CID 87929261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).