1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

C14H17N5S — CID 63807021

IUPAC1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C14H17N5S/c1-9-10(8-15-2)13(19(3)18-9)20-14-16-11-6-4-5-7-12(11)17-14/h4-7,15H,8H2,1-3H3,(H,16,17)
InChIKeyQXSUDLALXVGIME-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.48
Rot. Bonds4

About 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 63807021) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID63807021
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C14H17N5S/c1-9-10(8-15-2)13(19(3)18-9)20-14-16-11-6-4-5-7-12(11)17-14/h4-7,15H,8H2,1-3H3,(H,16,17)
InChIKeyQXSUDLALXVGIME-UHFFFAOYSA-N
XLogP2.48
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
6-(1H-benzimidazol-2-ylsulfanyl)-N,2-dimethylpyrimidin-4-amine
CID 80883058
5-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxy-1-methylimidazol-4-amine oxide
CID 21141508
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1H-benzimidazole
CID 779801
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
1H-benzimidazol-2-yl thiohypoiodite
CID 142014861
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80883757
1-(1,3-dimethyl-5-pentylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 107761377
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47259171
6-(1H-benzimidazol-2-ylsulfanyl)-2-methyl-1H-benzimidazole
CID 71321593

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 63807021) is 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is QXSUDLALXVGIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-10(8-15-2)13(19(3)18-9)20-14-16-11-6-4-5-7-12(11)17-14/h4-7,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63807021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).