4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine

C13H15N5O2 — CID 61366482

IUPAC4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc2nc(-c3cnn(C)c3N)[nH]c2cc1OC
InChIInChI=1S/C13H15N5O2/c1-18-12(14)7(6-15-18)13-16-8-4-10(19-2)11(20-3)5-9(8)17-13/h4-6H,14H2,1-3H3,(H,16,17)
InChIKeySOCURUBVEIBCKU-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.56
Rot. Bonds3

About 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine

4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine (PubChem CID 61366482) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
PubChem CID61366482
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc2nc(-c3cnn(C)c3N)[nH]c2cc1OC
InChIInChI=1S/C13H15N5O2/c1-18-12(14)7(6-15-18)13-16-8-4-10(19-2)11(20-3)5-9(8)17-13/h4-6H,14H2,1-3H3,(H,16,17)
InChIKeySOCURUBVEIBCKU-UHFFFAOYSA-N
XLogP1.56
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine (CID 61366482) is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine is COc1cc2nc(-c3cnn(C)c3N)[nH]c2cc1OC.
What is the InChIKey of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is SOCURUBVEIBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-18-12(14)7(6-15-18)13-16-8-4-10(19-2)11(20-3)5-9(8)17-13/h4-6H,14H2,1-3H3,(H,16,17).
What are the key properties of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine?
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 273.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 61366482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).