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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Related Compounds

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
CID 55061195
5-(5,6-dimethoxy-1H-benzimidazol-2-yl)benzene-1,3-diamine
CID 107811507
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
CID 55115772
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
2-(2,5-dimethylfuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 61365501
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyridazin-6-one
CID 136710701
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927

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).