2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine

C10H12N4S — CID 112645841

IUPAC2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(SC3CNC3)[nH]c2c1
InChIInChI=1S/C10H12N4S/c11-6-1-2-8-9(3-6)14-10(13-8)15-7-4-12-5-7/h1-3,7,12H,4-5,11H2,(H,13,14)
InChIKeyLXZOEJWOOWGFON-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.21
Rot. Bonds2

About 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine

2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine (PubChem CID 112645841) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine
PubChem CID112645841
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(SC3CNC3)[nH]c2c1
InChIInChI=1S/C10H12N4S/c11-6-1-2-8-9(3-6)14-10(13-8)15-7-4-12-5-7/h1-3,7,12H,4-5,11H2,(H,13,14)
InChIKeyLXZOEJWOOWGFON-UHFFFAOYSA-N
XLogP1.21
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyloxolan-3-yl)sulfanyl-3H-benzimidazol-5-amine
CID 107747619
3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-1-ethylpyrrolidine-2,5-dione
CID 115979920
6-methoxy-2-pyrrolidin-3-ylsulfanyl-1H-benzimidazole
CID 62328459
2-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-2-cyclopropylacetic acid
CID 112645737
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61372787
2-(3,3-dimethylbutylsulfanyl)-3H-benzimidazol-5-amine
CID 54958043
2-(3,3,3-trifluoropropylsulfanyl)-3H-benzimidazol-5-amine
CID 64566971
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
2-prop-2-enylsulfanyl-3H-benzimidazol-5-amine
CID 84617420
2-(oxan-4-ylsulfanyl)-3H-benzimidazol-5-ol
CID 84617416
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 55114980
2-pent-3-ynylsulfanyl-3H-benzimidazol-5-amine
CID 104808127

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine (CID 112645841) is 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(SC3CNC3)[nH]c2c1.
What is the InChIKey of 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine?
The InChIKey is LXZOEJWOOWGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-6-1-2-8-9(3-6)14-10(13-8)15-7-4-12-5-7/h1-3,7,12H,4-5,11H2,(H,13,14).
What are the key properties of 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine?
2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine has a molecular weight of 220.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylsulfanyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 112645841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).