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

C7H7N3S — CID 2734002

IUPAC5-amino-1,3-dihydrobenzimidazole-2-thione
SMILESNc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKeyBXDMTLVCACMNJO-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.81
Rot. Bonds

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

5-amino-1,3-dihydrobenzimidazole-2-thione (PubChem CID 2734002) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-amino-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-amino-1,3-dihydrobenzimidazole-2-thione
PubChem CID2734002
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-amino-1,3-dihydrobenzimidazole-2-thione
SMILESNc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKeyBXDMTLVCACMNJO-UHFFFAOYSA-N
XLogP1.81
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Mercaptobenzimidazole
CID 707035
2-Mercapto-5-nitrobenzimidazole
CID 3717598
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
1-Phenyl-1H-benzimidazol-2-YL hydrosulfide
CID 720852
5-Amino-2-hydroxybenzimidazole
CID 66765
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555
1-Butyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2325961
1-(propan-2-yl)-1H-1,3-benzodiazole-2-thiol
CID 720070
5-Fluoro-1H-benzo[d]imidazole-2(3H)-thione
CID 3434885
N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N'-phenylthiourea
CID 973009
3-(2-Mercapto-benzoimidazol-1-yl)-propionitrile
CID 2809686
1-Ethyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2325960

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-amino-1,3-dihydrobenzimidazole-2-thione (CID 2734002) is 5-amino-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-amino-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-amino-1,3-dihydrobenzimidazole-2-thione is Nc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-amino-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is BXDMTLVCACMNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 5-amino-1,3-dihydrobenzimidazole-2-thione?
5-amino-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 165.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 2734002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).