4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine

C10H9N5S — CID 114991117

IUPAC4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C10H9N5S/c11-9-8(5-12-15-9)16-10-13-6-3-1-2-4-7(6)14-10/h1-5H,(H,13,14)(H3,11,12,15)
InChIKeyPLRYWOIXHXTXNE-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.02
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine

4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine (PubChem CID 114991117) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
PubChem CID114991117
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C10H9N5S/c11-9-8(5-12-15-9)16-10-13-6-3-1-2-4-7(6)14-10/h1-5H,(H,13,14)(H3,11,12,15)
InChIKeyPLRYWOIXHXTXNE-UHFFFAOYSA-N
XLogP2.02
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-benzimidazol-2-ylsulfanyl)pyrazin-2-amine
CID 80647029
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
CID 80882654
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
[4-(1H-benzimidazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657640
(1S)-1-[4-(1H-benzimidazol-2-ylsulfanyl)-3-bromophenyl]ethanamine
CID 63370348
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
6-(1H-benzimidazol-2-ylsulfanyl)-2-propylpyrimidin-4-amine
CID 80949788
1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
2-(1H-benzimidazol-2-ylsulfanyl)pyrimidine-5-carbaldehyde
CID 113388621

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine (CID 114991117) is 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine?
The InChIKey is PLRYWOIXHXTXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c11-9-8(5-12-15-9)16-10-13-6-3-1-2-4-7(6)14-10/h1-5H,(H,13,14)(H3,11,12,15).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine?
4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine has a molecular weight of 231.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 114991117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).